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EVODEX.1-P3254

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:17][C:16]([C@:15]1([H:58])[C@:13]([O:14][H:53])([H:54])[C:12]([H:51])([H:52])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:48]):[N:3]:[C:2]([N:1]([H:59])[H:60]):[C:7]:3:[N:8]:[C:9]:2[H:49])([H:50])[O:18]1)([H:56])[H:57].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:37](=[O:38])([O:39][H:66])[O:40][H:67]>>[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[C:12]([H:51])([H:52])[C@@:13]([O:14][H:53])([H:54])[C@:15]([C:16]([O:17][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:56])[H:57])([H:58])[O:18]1)([H:59])[H:60]

Derived Operators

EVODEX.1-F328 - Elemental Balance

P-2
O-12
C-9
N-2
H-14

EVODEX.1-M18 - Mass Difference

-404.00222

EVODEX.1-E1114 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3](-[#6@@:2])-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:33](=[#8:34])(-[#8:35])-[#8:36])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#8:3](-[#6@@:2])-[#15:33](=[#8:34])(-[#8:35])-[#8:36]

EVODEX.1-C1295 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:17].[#6@:13]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:37]>>([#8:17]-[#15:37].[#6@@:13])

EVODEX.1-N1615 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:17]-[#6:16]-[#6@:15]-[#6@:13](-[#8:14])(-[H:54])-[#6:12].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]>>[#6:12]-[#6@@:13](-[#8:14])(-[H:54])-[#6@:15]-[#6:16]-[#8:17]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3892

Full Reaction Rendering

[H][O:17][C:16]([C@:15]1([H:58])[C@:13]([O:14][H:53])([H:54])[C:12]([H:51])([H:52])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:48]):[N:3]:[C:2]([N:1]([H:59])[H:60]):[C:7]:3:[N:8]:[C:9]:2[H:49])([H:50])[O:18]1)([H:56])[H:57].[O:19]=[C:20]1:[C:21]([H:61]):[C:22]([H:62]):[N:23]([C@:24]2([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]2([O:44][H:73])[H:74]):[C:45](=[O:46]):[N:47]:1[H:75]>>[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[C:12]([H:51])([H:52])[C@@:13]([O:14][H:53])([H:54])[C@:15]([C:16]([O:17][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:56])[H:57])([H:58])[O:18]1)([H:59])[H:60].[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:22]([H:62]):[C:21]([H:61]):[C:20](=[O:19]):[N:47]([H:75]):[C:45]:2=[O:46])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])(=[O:30])[O:31][H:64])(=[O:34])[O:35][H:65]