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EVODEX.1-P1855

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:57][C:56]([C:55]([N:53]([C:52]([H:110])([H:111])[H:112])[C:54]([H:100])([H:101])[H:102])([H:108])[H:109])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[H:107]>>[H]C([H])([H])C(=O)[O:57][C:56]([C:55]([N:53]([C:52]([H:110])([H:111])[H:112])[C:54]([H:100])([H:101])[H:102])([H:108])[H:109])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[H:107]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E556 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#8:14]-[H]>>[#6](-[#6](=[#8])-[#8:14]-[#6:13])(-[H])(-[H])-[H]

EVODEX.1-C75 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:67]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:67]

EVODEX.1-N19 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:67]-[#6:66]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:67]-[#6:66]

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-R2553

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:62])([C:17]([C:18]([H:63])([H:64])[H:65])([C:19]([H:66])([H:67])[H:68])[C:20]([O:21][P:22](=[O:23])([O:24][H:69])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][C:30]([C@@:31]1([H:71])[O:32][C@:33]([N:34]2:[C:35]([H:72]):[N:36]:[C:37]3:[C:38]([N:39]([H:73])[H:74]):[N:40]:[C:41]([H:75]):[N:42]:[C:43]:2:3)([H:76])[C@@:44]([O:45][H:77])([H:78])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:79])[O:51][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])([H:98])[H:99].[H][O:57][C:56]([C:55]([N:53]([C:52]([H:110])([H:111])[H:112])[C:54]([H:100])([H:101])[H:102])([H:108])[H:109])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[H:107]>>[C:1]([C:2](=[O:3])[O:57][C:56]([C:55]([N:53]([C:52]([H:110])([H:111])[H:112])[C:54]([H:100])([H:101])[H:102])([H:108])[H:109])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[H:107])([H:97])([H:98])[H:99].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:62])([C:17]([C:18]([H:63])([H:64])[H:65])([C:19]([H:66])([H:67])[H:68])[C:20]([O:21][P:22](=[O:23])([O:24][H:69])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][C:30]([C@@:31]1([H:71])[O:32][C@:33]([N:34]2:[C:35]([H:72]):[N:36]:[C:37]3:[C:38]([N:39]([H:73])[H:74]):[N:40]:[C:41]([H:75]):[N:42]:[C:43]:2:3)([H:76])[C@@:44]([O:45][H:77])([H:78])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:79])[O:51][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96]