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EVODEX.1-P3497

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]([C:8](=[O:9])[O:10][P:11](=[O:12])([O:13][H:45])[O:14][H:46])([H:47])[H:48])([H:49])[H:50])([C:15](=[O:16])[O:17][H:51])[H:52])[H:53])([H:54])([H:55])[H:56]>>[H][O:10][C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:54])([H:55])[H:56])=[O:3])[H:53])([C:15](=[O:16])[O:17][H:51])[H:52])([H:49])[H:50])([H:47])[H:48])=[O:9].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:11](=[O:12])([O:13][H:45])[O:14][H:46]

Derived Operators

EVODEX.1-F385 - Elemental Balance

P2
O10
C10
N5
H15

EVODEX.1-M27 - Mass Difference

427.02955

EVODEX.1-E1181 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:14](-[#6@@:2])-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#8:14](-[#6@@:2])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]

EVODEX.1-C881 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:23]-[#15:24].[#6@@:11])>>([H]-[#8:23].[#6@:11]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:24]

EVODEX.1-N1671 - Reaction Operator N

Reaction Operator N SMIRKS

([#7:4]-[#6@@:5](-[#6:6])(-[#6:15])-[H:52].[#6:8]-[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14])>>([H]-[#8:10]-[#6:8].[#6:6]-[#6@:5](-[#7:4])(-[#6:15])-[H:52]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]

EVODEX.1-Em63 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm76 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]

Source Full Reactions

EVODEX.1-R4192

Full Reaction Rendering

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