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EVODEX.1-P2011

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])[H:110])[H:109])([H:107])[H:108])[H:106])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90]>>[H]O[C@@]([H])(C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])[H:110])[H:109])([H:107])[H:108])[H:106])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Derived Operators

EVODEX.1-F86 - Elemental Balance

C18
O2
H32

EVODEX.1-M225 - Mass Difference

280.24036

EVODEX.1-E655 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[H]>>[#6:14]-[#8:15]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#8]-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8]

EVODEX.1-C364 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:25]>>[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:25])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N417 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:25]-[#6:24]>>[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:25]-[#6:24])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2661

Full Reaction Rendering

[H][O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])[H:110])[H:109])([H:107])[H:108])[H:106])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90].[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C@@:26]([O:27][H:122])([C:28]([C:29](=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38](=[O:39])[S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:123])([C:53]([C:54]([H:124])([H:125])[H:126])([C:55]([H:127])([H:128])[H:129])[C:56]([O:57][P:58](=[O:59])([O:60][H:130])[O:61][P:62](=[O:63])([O:64][H:131])[O:65][C:66]([C@@:67]1([H:132])[O:68][C@:69]([N:70]2:[C:71]([H:133]):[N:72]:[C:73]3:[C:74]([N:75]([H:134])[H:135]):[N:76]:[C:77]([H:136]):[N:78]:[C:79]:2:3)([H:137])[C@@:80]([O:81][H:138])([H:139])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:140])[O:87][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])[H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])[H:172])[H:173])([H:174])[H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])([H:188])[H:189]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([O:19][C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30](=[C:29]([C:28]([C@@:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([O:27][H:122])[H:176])([H:174])[H:175])[H:173])[H:172])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])=[O:39])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105])[H:106])([H:107])[H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121].[H][S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:123])([C:53]([C:54]([H:124])([H:125])[H:126])([C:55]([H:127])([H:128])[H:129])[C:56]([O:57][P:58](=[O:59])([O:60][H:130])[O:61][P:62](=[O:63])([O:64][H:131])[O:65][C:66]([C@@:67]1([H:132])[O:68][C@:69]([N:70]2:[C:71]([H:133]):[N:72]:[C:73]3:[C:74]([N:75]([H:134])[H:135]):[N:76]:[C:77]([H:136]):[N:78]:[C:79]:2:3)([H:137])[C@@:80]([O:81][H:138])([H:139])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:140])[O:87][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])[H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157]