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EVODEX.1-P3685

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:22][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[C@@:26]([O:27][H:55])([H:56])[C@@:24]1([O:25][H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:47])(=[O:21])[O:23][H:49].[O:28]=[P:29]([O:30][H:59])([O:31][H:60])[O:32][C@@:33]1([H:61])[O:34][C@@:35]([C:36]([O:37][H:62])([H:63])[H:64])([H:65])[C@:38]([O:39][H:66])([H:67])[C@@:40]([O:41][H:68])([H:69])[C@:42]1([O:43][H:70])[H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][C@@:33]2([H:61])[O:34][C@@:35]([C:36]([O:37][H:62])([H:63])[H:64])([H:65])[C@:38]([O:39][H:66])([H:67])[C@@:40]([O:41][H:68])([H:69])[C@:42]2([O:43][H:70])[H:71])[O:23][H:49])([H:50])[H:51])([H:52])[C@:24]([O:25][H:53])([H:54])[C@:26]1([O:27][H:55])[H:56])([H:57])[H:58].[H][O:32][P:29](=[O:28])([O:30][H:59])[O:31][H:60]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E132 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:20]-[#8:22]-[H].[#15:29]-[#8:32]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42]>>[#15:20]-[#8:22]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42].[#15:29]-[#8:32]-[H]

EVODEX.1-C1350 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:22].[#6@@:26]-[#6@@:24]).[#8:32]-[#6@@:33]>>([#8:22]-[#6@@:33].[#6@:24]-[#6@:26]).[H]-[#8:32]

EVODEX.1-N1712 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:22]-[#15:20].[#8:27]-[#6@:26](-[#6@:11])(-[H:56])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:54]).[#15:29]-[#8:32]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42]>>([#15:20]-[#8:22]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:54])-[#6@:26](-[#6@:11])(-[#8:27])-[H:56]).[H]-[#8:32]-[#15:29]

EVODEX.1-Em100 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm133 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

Source Full Reactions

EVODEX.1-R4490

Full Reaction Rendering

[H][O:22][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[C@@:26]([O:27][H:55])([H:56])[C@@:24]1([O:25][H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:47])(=[O:21])[O:23][H:49].[O:28]=[P:29]([O:30][H:59])([O:31][H:60])[O:32][C@@:33]1([H:61])[O:34][C@@:35]([C:36]([O:37][H:62])([H:63])[H:64])([H:65])[C@:38]([O:39][H:66])([H:67])[C@@:40]([O:41][H:68])([H:69])[C@:42]1([O:43][H:70])[H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][C@@:33]2([H:61])[O:34][C@@:35]([C:36]([O:37][H:62])([H:63])[H:64])([H:65])[C@:38]([O:39][H:66])([H:67])[C@@:40]([O:41][H:68])([H:69])[C@:42]2([O:43][H:70])[H:71])[O:23][H:49])([H:50])[H:51])([H:52])[C@:24]([O:25][H:53])([H:54])[C@:26]1([O:27][H:55])[H:56])([H:57])[H:58].[H][O:32][P:29](=[O:28])([O:30][H:59])[O:31][H:60]