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EVODEX.1-P527

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:82])([H:83])[H:84])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:85])([H:86])[H:87])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:88])([H:89])[H:90])=[C:14]([C:15]([C:16]([C:17](=[C:18]([C:19]([H:91])([H:92])[H:93])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:94])([H:95])[H:96])[C:25]([C:26]([C@:27]1([H:97])[O:28][C:29]1([C:30]([H:98])([H:99])[H:100])[C:31]([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:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:128])([H:129])([H:130])[H:131]>>O1[C:2]([C:1]([H:129])([H:130])[H:131])([C:3]([H:82])([H:83])[H:84])[C:4]1([C:5]([C:6]([C:7]([C:8]([H:85])([H:86])[H:87])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:88])([H:89])[H:90])=[C:14]([C:15]([C:16]([C:17](=[C:18]([C:19]([H:91])([H:92])[H:93])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:94])([H:95])[H:96])[C:25]([C:26]([C@:27]1([H:97])[O:28][C:29]1([C:30]([H:98])([H:99])[H:100])[C:31]([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:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:128]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E423 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19](-[#6@:8])(-[#6@:17])=[#6:20](-[H:89])-[#6:21]>>[H:89]-[#6@:20]1(-[#6@@:19](-[#6@:8])(-[#6@:17])-[#8]-1)-[#6:21]

EVODEX.1-C92 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6@:27]-[#6:28]-1

EVODEX.1-N129 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:26]-[#6:27](=[#6:28](-[#6:29])-[#6:30])-[H:102]>>[#8]1-[#6@:27](-[#6:26])(-[H:102])-[#6:28]-1(-[#6:29])-[#6:30]

EVODEX.1-Em211 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:26]-[#6:27]=[#6:28](-[#6:29])-[#6:30]>>[#8]1-[#6:27](-[#6:26])-[#6:28]-1(-[#6:29])-[#6:30]

EVODEX.1-Cm118 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6:27]-[#6:28]-1

EVODEX.1-Nm211 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:26]-[#6:27]=[#6:28](-[#6:29])-[#6:30]>>[#8]1-[#6:27](-[#6:26])-[#6:28]-1(-[#6:29])-[#6:30]

Source Full Reactions

EVODEX.1-R504

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:82])([H:83])[H:84])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:85])([H:86])[H:87])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:88])([H:89])[H:90])=[C:14]([C:15]([C:16]([C:17](=[C:18]([C:19]([H:91])([H:92])[H:93])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:94])([H:95])[H:96])[C:25]([C:26]([C@:27]1([H:97])[O:28][C:29]1([C:30]([H:98])([H:99])[H:100])[C:31]([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:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:128])([H:129])([H:130])[H:131].[HH].[H][C:79]1([H:158])[C:35]([C:33]([N:32]([H:160])[H:161])=[O:34])=[C:36]([H:132])[N:37]([C@:38]2([H:133])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:134])[O:46][P:47](=[O:48])([O:49][H:135])[O:50][C:51]([C@@:52]3([H:136])[O:53][C@:54]([N:55]4:[C:56]([H:137]):[N:57]:[C:58]5:[C:59]([N:60]([H:138])[H:139]):[N:61]:[C:62]([H:140]):[N:63]:[C:64]:4:5)([H:141])[C@@:65]([O:66][P:67](=[O:68])([O:69][H:142])[O:70][H:143])([H:144])[C@@:71]3([O:72][H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[C@:73]([O:74][H:152])([H:153])[C@:75]2([O:76][H:154])[H:155])[C:77]([H:156])=[C:78]1[H:157].[O:80]=[O:81]>>[C:1]([C:2]1([C:3]([H:82])([H:83])[H:84])[C:4]([C:5]([C:6]([C:7]([C:8]([H:85])([H:86])[H:87])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:88])([H:89])[H:90])=[C:14]([C:15]([C:16]([C:17](=[C:18]([C:19]([H:91])([H:92])[H:93])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:94])([H:95])[H:96])[C:25]([C:26]([C@:27]2([H:97])[O:28][C:29]2([C:30]([H:98])([H:99])[H:100])[C:31]([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:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[O:80]1)([H:129])([H:130])[H:131].[N:32]([C:33](=[O:34])[C:35]1:[C:36]([H:132]):[N+:37]([C@:38]2([H:133])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:134])[O:46][P:47](=[O:48])([O:49][H:135])[O:50][C:51]([C@@:52]3([H:136])[O:53][C@:54]([N:55]4:[C:56]([H:137]):[N:57]:[C:58]5:[C:59]([N:60]([H:138])[H:139]):[N:61]:[C:62]([H:140]):[N:63]:[C:64]:4:5)([H:141])[C@@:65]([O:66][P:67](=[O:68])([O:69][H:142])[O:70][H:143])([H:144])[C@@:71]3([O:72][H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[C@:73]([O:74][H:152])([H:153])[C@:75]2([O:76][H:154])[H:155]):[C:77]([H:156]):[C:78]([H:157]):[C:79]:1[H:158])([H:160])[H:161].[H][O:81][H]