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EVODEX.1-P3579

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:56])[H:57]):[N:21]:[C:19]:2=[O:20])([H:46])[C@@:17]([O:18][H:54])([H:55])[C@@:15]1([O:16][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:14][H:48].[O:22]=[P:23]([O:24][H:58])([O:25][H:59])[O:26][C:27]([C@@:28]1([H:60])[O:29][C@@:30]([O:31][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])([H:64])[C@@:40]([O:41][H:65])([H:66])[C@@:42]1([O:43][H:67])[H:68])([H:69])[H:70]>>[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])[O:14][H:48])([H:49])[H:50])([H:51])[C@:15]([O:16][H:52])([H:53])[C@:17]2([O:18][H:54])[H:55]):[C:19](=[O:20]):[N:21]:1)([H:56])[H:57].[H][O:31][C:30]1([H:64])[O:29][C@@:28]([C:27]([O:26][P:23](=[O:22])([O:24][H:58])[O:25][H:59])([H:69])[H:70])([H:60])[C@:42]([O:43][H:67])([H:68])[C@:40]1([O:41][H:65])[H:66]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E294 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:18]-[H].[#8:27]-[#6@@:28](-[#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H:62])-[#6@@:38]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33].[#8:27]-[#6:28](-[#8:29]-[H])(-[H:62])-[#6@@:38]

EVODEX.1-C1099 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:13].[#6@@:17]-[#6@@:15]).[#8:31](-[#6@@:30]-[#6@@:40]-[#6@@:42])-[#15:32]>>([#8:13]-[#15:32].[#6@:15]-[#6@:17]).[H]-[#8:31]-[#6:30]-[#6@:40]-[#6@:42]

EVODEX.1-N1351 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:13]-[#15:11].[#8:18]-[#6@:17](-[#6@:6])(-[H:55])-[#6@@:15](-[#6@@:8])(-[#8:16])-[H:53]).[#8:29]1-[#6@@:28]-[#6@:42](-[#6@:40](-[#6@:30]-1(-[#8:31]-[#15:32](=[#8:33])(-[#8:34])-[#8:35])-[H:64])(-[#8:41])-[H:66])(-[#8:43])-[H:68]>>([#15:11]-[#8:13]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].[#8:16]-[#6@@:15](-[#6@@:8])(-[H:53])-[#6@:17](-[#6@:6])(-[#8:18])-[H:55]).[H]-[#8:31]-[#6:30]1(-[H:64])-[#8:29]-[#6@@:28]-[#6@:42](-[#8:43])(-[H:68])-[#6@:40]-1(-[#8:41])-[H:66]

EVODEX.1-Em65 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm78 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

Source Full Reactions

EVODEX.1-R4319

Full Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:56])[H:57]):[N:21]:[C:19]:2=[O:20])([H:46])[C@@:17]([O:18][H:54])([H:55])[C@@:15]1([O:16][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:14][H:48].[O:22]=[P:23]([O:24][H:58])([O:25][H:59])[O:26][C:27]([C@@:28]1([H:60])[O:29][C@@:30]([O:31][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])([H:64])[C@@:40]([O:41][H:65])([H:66])[C@@:42]1([O:43][H:67])[H:68])([H:69])[H:70]>>[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])[O:14][H:48])([H:49])[H:50])([H:51])[C@:15]([O:16][H:52])([H:53])[C@:17]2([O:18][H:54])[H:55]):[C:19](=[O:20]):[N:21]:1)([H:56])[H:57].[H][O:31][C:30]1([H:64])[O:29][C@@:28]([C:27]([O:26][P:23](=[O:22])([O:24][H:58])[O:25][H:59])([H:69])[H:70])([H:60])[C@:42]([O:43][H:67])([H:68])[C@:40]1([O:41][H:65])[H:66]