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EVODEX.1-P3313

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:4][C:3]1([H:62])[C@@:2]([N:1]([H:71])[H:72])([H:60])[C@:11]([O:12][H:69])([H:70])[C@:9]([O:10][H:67])([H:68])[C@:6]([C:7]([O:8][H:63])([H:64])[H:65])([H:66])[O:5]1>>[H]OP(=O)(O[H])[O:4][C@@:3]1([H:62])[C@@:2]([N:1]([H:71])[H:72])([H:60])[C@:11]([O:12][H:69])([H:70])[C@:9]([O:10][H:67])([H:68])[C@:6]([C:7]([O:8][H:63])([H:64])[H:65])([H:66])[O:5]1

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1026 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3]-[#6:4](-[#8:5]-[H])(-[H:45])-[#6@:6]>>[#8:3]-[#6@@:4](-[#8:5]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:45])-[#6@:6]

EVODEX.1-C178 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:101]-[#6@@:99]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:101]-[#6:99]

EVODEX.1-N569 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4](-[H:45])(-[#8:3])-[#6@@:6]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:5]-[#6@@:4](-[H:45])(-[#8:3])-[#6@@:6]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27]>>[#15]-[#8:27]

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4099

Full Reaction Rendering

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

EVODEX.1-R3955

Full Reaction Rendering

[N:13]([C:14]1:[N:15]:[C:16]([H:44]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:45]):[N:22]:2[C@:23]1([H:46])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57])([H:58])[H:59].[H][O:4][C:3]1([H:62])[C@@:2]([N:1]([H:71])[H:72])([H:60])[C@:11]([O:12][H:69])([H:70])[C@:9]([O:10][H:67])([H:68])[C@:6]([C:7]([O:8][H:63])([H:64])[H:65])([H:66])[O:5]1>>[H][O:35][P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:53])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:58])[H:59]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:29])[O:30][H:47])(=[O:33])[O:34][H:48].[N:1]([C@@:2]1([H:60])[C@@:3]([O:4][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:62])[O:5][C@@:6]([C:7]([O:8][H:63])([H:64])[H:65])([H:66])[C@@:9]([O:10][H:67])([H:68])[C@@:11]1([O:12][H:69])[H:70])([H:71])[H:72]