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EVODEX.1-P73

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:99])([H:100])[H:101])([O:3][H])[C:4]([H])([O:5][H])[H:96]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:96])([H:99])([H:100])[H:101]

Derived Operators

EVODEX.1-F6 - Elemental Balance

H-4

EVODEX.1-M89 - Mass Difference

-4.03132

EVODEX.1-E55 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7])(-[#6:8](-[#8:9])(-[H:62])-[H])-[H]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-C1173 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:2](-[#8:3]-[H])-[#6:4](-[H])-[#8:5]-[H]>>[#6:2](=[#8:3])-[#6:4]=[#8:5]

EVODEX.1-N109 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])(-[#8:9])-[H:62]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-Em171 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

EVODEX.1-Cm330 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2](-[#8:3]-[H])-[#6:4](-[H])-[#8:5]-[H]>>[#6:2](=[#8:3])-[#6:4]=[#8:5]

EVODEX.1-Nm185 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

Source Full Reactions

EVODEX.1-R155

Full Reaction Rendering

[H][C:2]([C:1]([H:15])([H:16])[H:17])([O:3][H])[C:4]([H])([O:5][H])[H:12].[O:6]=[O:7].[O:8]=[O:9]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:12])([H:15])([H:16])[H:17].[H][O:6][O:7][H].[H][O:8][O:9][H]

EVODEX.1-R97

Full Reaction Rendering

[H][C:2]([C:1]([H:99])([H:100])[H:101])([O:3][H])[C:4]([H])([O:5][H])[H:96].[N:50]([C:51](=[O:52])[C:53]1:[C:54]([H:102]):[C:55]([H:103]):[C:56]([H:104]):[N+:57]([C@:58]2([H:105])[O:59][C@@:60]([C:61]([O:62][P:63](=[O:64])([O:65][H:106])[O:66][P:67](=[O:68])([O:69][H:107])[O:70][C:71]([C@@:72]3([H:108])[O:73][C@:74]([N:75]4:[C:76]([H:109]):[N:77]:[C:78]5:[C:79]([N:80]([H:110])[H:111]):[N:81]:[C:82]([H:112]):[N:83]:[C:84]:4:5)([H:113])[C@@:85]([O:86][H:114])([H:115])[C@@:87]3([O:88][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[C@:89]([O:90][H:123])([H:124])[C@:91]2([O:92][H:125])[H:126]):[C:93]:1[H:127])([H:128])[H:129].[N:6]([C:7](=[O:8])[C:9]1:[C:10]([H:130]):[C:11]([H:131]):[C:12]([H:132]):[N+:13]([C@:14]2([H:133])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:134])[O:22][P:23](=[O:24])([O:25][H:135])[O:26][C:27]([C@@:28]3([H:136])[O:29][C@:30]([N:31]4:[C:32]([H:137]):[N:33]:[C:34]5:[C:35]([N:36]([H:138])[H:139]):[N:37]:[C:38]([H:140]):[N:39]:[C:40]:4:5)([H:141])[C@@:41]([O:42][H:142])([H:143])[C@@:43]3([O:44][H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[C@:45]([O:46][H:151])([H:152])[C@:47]2([O:48][H:153])[H:154]):[C:49]:1[H:155])([H:156])[H:157]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:96])([H:99])([H:100])[H:101].[HH].[HH].[H][C:54]1([H:102])[C:53]([C:51]([N:50]([H:128])[H:129])=[O:52])=[C:93]([H:127])[N:57]([C@:58]2([H:105])[O:59][C@@:60]([C:61]([O:62][P:63](=[O:64])([O:65][H:106])[O:66][P:67](=[O:68])([O:69][H:107])[O:70][C:71]([C@@:72]3([H:108])[O:73][C@:74]([N:75]4:[C:76]([H:109]):[N:77]:[C:78]5:[C:79]([N:80]([H:110])[H:111]):[N:81]:[C:82]([H:112]):[N:83]:[C:84]:4:5)([H:113])[C@@:85]([O:86][H:114])([H:115])[C@@:87]3([O:88][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[C@:89]([O:90][H:123])([H:124])[C@:91]2([O:92][H:125])[H:126])[C:56]([H:104])=[C:55]1[H:103].[H][C:10]1([H:130])[C:9]([C:7]([N:6]([H:156])[H:157])=[O:8])=[C:49]([H:155])[N:13]([C@:14]2([H:133])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:134])[O:22][P:23](=[O:24])([O:25][H:135])[O:26][C:27]([C@@:28]3([H:136])[O:29][C@:30]([N:31]4:[C:32]([H:137]):[N:33]:[C:34]5:[C:35]([N:36]([H:138])[H:139]):[N:37]:[C:38]([H:140]):[N:39]:[C:40]:4:5)([H:141])[C@@:41]([O:42][H:142])([H:143])[C@@:43]3([O:44][H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[C@:45]([O:46][H:151])([H:152])[C@:47]2([O:48][H:153])[H:154])[C:12]([H:132])=[C:11]1[H:131]