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EVODEX.1-P7181

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:13]([C@@:14]([C:15]([O:16][H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:54])[H:55])[H:56]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:13]([C@@:14]([C:15]([O:16][H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:54])[H:55])[H:56])N([H])[H]

Derived Operators

EVODEX.1-F172 - Elemental Balance

O1
C6
N4
H12

EVODEX.1-M263 - Mass Difference

156.10126

EVODEX.1-E842 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:13](-[#6@@:14])(-[H:66])-[H]>>[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]

EVODEX.1-C579 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:13]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]

EVODEX.1-N735 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:13](-[#6@@:14])-[H:66]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[#7](-[H])-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7748

Full Reaction Rendering

[H][N:13]([C@@:14]([C:15]([O:16][H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:54])[H:55])[H:56].[N:20]([C:21]1:[N:22]:[C:23]([H:58]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:59]):[N:29]:2[C@:30]1([H:60])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:61])[O:38][P:39](=[O:40])([O:41][H:62])[O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64])([H:65])[H:66])([H:67])[C@:47]([O:48][H:68])([H:69])[C@:49]1([O:50][H:70])[H:71])([H:72])[H:73].[N:1](=[C:2]([N:3]([H:74])[H:75])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:76])[H:77])([C:10](=[O:11])[O:12][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87]>>[N:1](=[C:2]([N:3]([H:74])[H:75])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:76])[H:77])([C:10](=[O:11])[N:13]([C@@:14]([C:15]([O:16][H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:54])[H:55])[H:56])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87].[O:12]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:67])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:58]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:59])([H:60])[C@@:49]([O:50][H:70])([H:71])[C@@:47]1([O:48][H:68])[H:69])([H:65])[H:66])(=[O:36])[O:37][H:61])(=[O:40])[O:41][H:62])[H:78].[H][O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64]