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EVODEX.1-P3412

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C991 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:20]-[#15:21].[#6@@:8]).[H]-[#8:34]-[#6:33]>>([H]-[#8:20].[#6@:8]).[#15:21]-[#8:34]-[#6@@:33]

EVODEX.1-N1227 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:7]-[#6@@:8](-[#8:9])(-[H:47])-[#6@:10].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]).[H]-[#8:34]-[#6:33](-[H:58])(-[#8:32])-[#6@:35]>>([H]-[#8:20]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:47])-[#6:7]).[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8:34]-[#6@@:33](-[H:58])(-[#8:32])-[#6@:35]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

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-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4088

Full Reaction Rendering

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