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EVODEX.1-P3447

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]1:[N:3]([H:42]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:43]):[N:9]([C@:10]3([H:44])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:45])[O:18][H:46])([H:47])[H:48])([H:49])[C@:19]([O:20][H:50])([H:51])[C@:21]3([O:22][H:52])[H:53]):[C:23]:2:[N:24]:1[H:54])[H:55]>>[H][O:14][C:13]([C@@:12]1([H:49])[O:11][C@:10]([N:9]2:[C:8]([H:43]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:42]):[C:2](=[N:1][H:55]):[N:24]([H:54]):[C:23]:3:2)([H:44])[C@@:21]([O:22][H:52])([H:53])[C@@:19]1([O:20][H:50])[H:51])([H:47])[H:48].[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:15](=[O:16])([O:17][H:45])[O:18][H:46]

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-C1319 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:14]-[#15:15].[#6@:19]-[#6@:21])>>([H]-[#8:14].[#6@@:21]-[#6@@:19]).[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]-[#15:15]

EVODEX.1-N1657 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:13](-[#6@@:12]-[#6@:19](-[#8:20])(-[H:51])-[#6@:21](-[#6@:10])(-[#8:22])-[H:53])-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[H]-[#8:14]-[#6:13]-[#6@@:12]-[#6@:19](-[#6@:21](-[#6@:10])(-[#8:22])-[H:53])(-[#8:20])-[H:51].[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]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]

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-R4132

Full Reaction Rendering

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