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EVODEX.1-P4214

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][H:46])([H:47])[H:48])([H:49])[C@:15]([O:16][H:50])([H:51])[C@:17]2([O:18][H:52])[H:53]):[C:19](=[O:20]):[N:21]:1)([H:54])[H:55].[H][O:35][C:34]([C@@:33]1([H:62])[O:32][C@:31]([N:30]2:[C:29]([H:57]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:56]):[C:23](=[O:22]):[N:41]([H:67]):[C:40]:3:2)([H:58])[C@@:38]([O:39][H:65])([H:66])[C@@:36]1([O:37][H:63])[H:64])([H:60])[H:61]>>[H][O:10][C:9]([C@@:8]1([H:49])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:54])[H:55]):[N:21]:[C:19]:2=[O:20])([H:44])[C@@:17]([O:18][H:52])([H:53])[C@@:15]1([O:16][H:50])[H:51])([H:47])[H:48].[P:11](=[O:12])([O:13][H:45])([O:14][H:46])[O:35][C:34]([C@@:33]1([H:62])[O:32][C@:31]([N:30]2:[C:29]([H:57]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:56]):[C:23](=[O:22]):[N:41]([H:67]):[C:40]:3:2)([H:58])[C@@:38]([O:39][H:65])([H:66])[C@@:36]1([O:37][H:63])[H:64])([H:60])[H:61]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C22 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]

EVODEX.1-N1341 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9](-[#6@@:8]-[#6@:15](-[#8:16])(-[H:51])-[#6@:17](-[#6@:6])(-[#8:18])-[H:53])-[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14].[H]-[#8:35]-[#6:34]>>[H]-[#8:10]-[#6:9]-[#6@@:8]-[#6@:15](-[#6@:17](-[#6@:6])(-[#8:18])-[H:53])(-[#8:16])-[H:51].[#15:11](=[#8:12])(-[#8:13])(-[#8:14])-[#8:35]-[#6:34]

EVODEX.1-Em66 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

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-Nm79 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

Source Full Reactions

EVODEX.1-R5062

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][H:46])([H:47])[H:48])([H:49])[C@:15]([O:16][H:50])([H:51])[C@:17]2([O:18][H:52])[H:53]):[C:19](=[O:20]):[N:21]:1)([H:54])[H:55].[H][O:35][C:34]([C@@:33]1([H:62])[O:32][C@:31]([N:30]2:[C:29]([H:57]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:56]):[C:23](=[O:22]):[N:41]([H:67]):[C:40]:3:2)([H:58])[C@@:38]([O:39][H:65])([H:66])[C@@:36]1([O:37][H:63])[H:64])([H:60])[H:61]>>[H][O:10][C:9]([C@@:8]1([H:49])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:54])[H:55]):[N:21]:[C:19]:2=[O:20])([H:44])[C@@:17]([O:18][H:52])([H:53])[C@@:15]1([O:16][H:50])[H:51])([H:47])[H:48].[P:11](=[O:12])([O:13][H:45])([O:14][H:46])[O:35][C:34]([C@@:33]1([H:62])[O:32][C@:31]([N:30]2:[C:29]([H:57]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:56]):[C:23](=[O:22]):[N:41]([H:67]):[C:40]:3:2)([H:58])[C@@:38]([O:39][H:65])([H:66])[C@@:36]1([O:37][H:63])[H:64])([H:60])[H:61]