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EVODEX.1-P3446

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[C@:16]([O:17][P:18](=[O:19])([O:20][H:48])[O:21][H:49])([H:50])[C@:22]1([O:23][H:51])[H:52])([H:53])[H:54]>>[H][O:17][C@:16]1([H:50])[C@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:53])[H:54]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:22]1([O:23][H:51])[H:52].[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])O[P:18](=[O:19])([O:20][H:48])[O:21][H:49]

Derived Operators

EVODEX.1-F69 - Elemental Balance

C9
O6
N2
H12

EVODEX.1-M216 - Mass Difference

244.06956

EVODEX.1-E616 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#6:6]>>[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:5](-[#6:6])-[H]

EVODEX.1-C1318 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:17]-[#15:18].[#6@@:13].[#6@:22])>>([H]-[#8:17].[#6@:13].[#6@@:22]).[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]-[#15:18]

EVODEX.1-N1656 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:12]1-[#6@:11]-[#6@@:22](-[#6@:16](-[#6@:13]-1(-[#6:14])-[H:47])-[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8:21])(-[#8:23])-[H:52]>>[H]-[#8:17]-[#6@@:16]1-[#6@:13](-[#6:14])(-[H:47])-[#8:12]-[#6@:11]-[#6@@:22]-1(-[#8:23])-[H:52].[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]-[#15:18](=[#8:19])(-[#8:20])-[#8:21]

EVODEX.1-Em64 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm77 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]

Source Full Reactions

EVODEX.1-R4131

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[C@:16]([O:17][P:18](=[O:19])([O:20][H:48])[O:21][H:49])([H:50])[C@:22]1([O:23][H:51])[H:52])([H:53])[H:54].[H][O:33][C:32]([C@@:31]1([H:61])[O:30][C@:29]([N:28]2:[C:27]([H:56]):[C:26]([H:55]):[C:25](=[O:24]):[N:40]([H:66]):[C:38]:2=[O:39])([H:57])[C@@:36]([O:37][H:64])([H:65])[C@@:34]1([O:35][H:62])[H:63])([H:59])[H:60]>>[H][O:17][C@:16]1([H:50])[C@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:53])[H:54]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:22]1([O:23][H:51])[H:52].[P:18](=[O:19])([O:20][H:48])([O:21][H:49])[O:33][C:32]([C@@:31]1([H:61])[O:30][C@:29]([N:28]2:[C:27]([H:56]):[C:26]([H:55]):[C:25](=[O:24]):[N:40]([H:66]):[C:38]:2=[O:39])([H:57])[C@@:36]([O:37][H:64])([H:65])[C@@:34]1([O:35][H:62])[H:63])([H:59])[H:60]