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EVODEX.1-P3235

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OP(=O)(O[H])[O:39][C@:36]1([C:37]([O:38][H:66])([H:67])[H:68])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:63])[O:31][H:64])([H:75])[H:76])([H:65])[C@:46]([O:47][H:73])([H:74])[C@@:44]1([O:45][H:71])[H:72]>>[H][O:39][C@:36]1([C:37]([O:38][H:66])([H:67])[H:68])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:63])[O:31][H:64])([H:75])[H:76])([H:65])[C@:46]([O:47][H:73])([H:74])[C@@:44]1([O:45][H:71])[H:72]

Derived Operators

EVODEX.1-F114 - Elemental Balance

P-1
O-3
H-1

EVODEX.1-M33 - Mass Difference

-79.96633

EVODEX.1-E726 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C46 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]

EVODEX.1-N570 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:36]-[#6:35]>>[H]-[#8:36]-[#6:35]

EVODEX.1-Em79 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

EVODEX.1-Cm44 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm100 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

Source Full Reactions

EVODEX.1-R5051

Full Reaction Rendering

[O:2]=[P:3]([O:4][H:22])([O:5][H:23])[O:6][C:7]([C@@:8]1([H:24])[O:9][C@:10]([C:11]([O:12][H:25])([H:26])[H:27])([O:13][P:14](=[O:15])([O:16][H:28])[O:17][H:29])[C@:18]([O:19][H:30])([H:31])[C@@:20]1([O:21][H:32])[H:33])([H:34])[H:35].[H][O:1][H:36]>>[H][O:13][P:14](=[O:15])([O:16][H:28])[O:17][H:29].[O:1]([C:10]1([C:11]([O:12][H:25])([H:26])[H:27])[O:9][C@@:8]([C:7]([O:6][P:3](=[O:2])([O:4][H:22])[O:5][H:23])([H:34])[H:35])([H:24])[C@:20]([O:21][H:32])([H:33])[C@@:18]1([O:19][H:30])[H:31])[H:36]

EVODEX.1-R3870

Full Reaction Rendering

[H][O:22][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:48]):[N:3]:[C:2]([N:1]([H:61])[H:62]):[C:7]:3:[N:8]:[C:9]:2[H:49])([H:50])[C@@:26]([O:27][H:59])([H:60])[C@@:24]1([O:25][H:57])[H:58])([H:54])[H:55])(=[O:17])[O:18][H:51])(=[O:21])[O:23][H:53].[O:28]=[P:29]([O:30][H:63])([O:31][H:64])[O:32][C:33]([C@@:34]1([H:65])[O:35][C@@:36]([C:37]([O:38][H:66])([H:67])[H:68])([O:39][P:40](=[O:41])([O:42][H:69])[O:43][H:70])[C@:44]([O:45][H:71])([H:72])[C@@:46]1([O:47][H:73])[H:74])([H:75])[H:76]>>[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@:11]1([H:50])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:51])[O:19][P:20](=[O:21])([O:22][P:40](=[O:41])([O:42][H:69])[O:43][H:70])[O:23][H:53])([H:54])[H:55])([H:56])[C@:24]([O:25][H:57])([H:58])[C@:26]1([O:27][H:59])[H:60])([H:61])[H:62].[H][O:39][C@:36]1([C:37]([O:38][H:66])([H:67])[H:68])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:63])[O:31][H:64])([H:75])[H:76])([H:65])[C@:46]([O:47][H:73])([H:74])[C@@:44]1([O:45][H:71])[H:72]