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EVODEX.1-P3326

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:51])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[C@@:18]([O:19][H:54])([H:55])[C@@:16]1([O:17][H:52])[H:53])([H:49])[H:50].[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])O[P:34](=[O:35])([O:36][H:62])[O:37][H:63]>>[N:1]([C:2]1:[N:3]:[C:4]([H:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:49])[H:50])([H:51])[C@:16]([O:17][H:52])([H:53])[C@:18]1([O:19][H:54])[H:55])([H:56])[H:57]

Derived Operators

EVODEX.1-F293 - Elemental Balance

P-1
O-9
C-9
N-2
H-13

EVODEX.1-M144 - Mass Difference

-324.03589

EVODEX.1-E1059 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:34]-[#8:35]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:54](=[#8:55])(-[#8:56])-[#8:57])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:34]-[#8:35]-[#15:54](=[#8:55])(-[#8:56])-[#8:57]

EVODEX.1-C983 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:20].[#6@@:24]-[#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](=[#8])(-[#8]-[H])-[#8]-[#15:43]>>([#8:20]-[#15:43].[#6@:22]-[#6@:24])

EVODEX.1-N1329 - Reaction Operator N

Reaction Operator N SMIRKS

[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]-[#15:29](=[#8:30])(-[#8:31])-[#8:32].[H]-[#8:10]-[#6:9]-[#6@@:8]-[#6@:11](-[#6@:13](-[#6@@:6])(-[#8:14])-[H:64])(-[#8:12])-[H:62]>>[#6:9](-[#6@@:8]-[#6@:11](-[#8:12])(-[H:62])-[#6@:13](-[#6@@:6])(-[#8:14])-[H:64])-[#8:10]-[#15:29](=[#8:30])(-[#8:31])-[#8:32]

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-R3974

Full Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:51])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[C@@:18]([O:19][H:54])([H:55])[C@@:16]1([O:17][H:52])[H:53])([H:49])[H:50].[O:20]=[C:21]1:[C:22]([H:58]):[C:23]([H:59]):[N:24]([C@:25]2([H:60])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:61])[O:33][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:64])[H:65])([H:66])[C@:38]([O:39][H:67])([H:68])[C@:40]2([O:41][H:69])[H:70]):[C:42](=[O:43]):[N:44]:1[H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:49])[H:50])([H:51])[C@:16]([O:17][H:52])([H:53])[C@:18]1([O:19][H:54])[H:55])([H:56])[H:57].[H][O:33][P:30]([O:29][C:28]([C@@:27]1([H:66])[O:26][C@:25]([N:24]2:[C:23]([H:59]):[C:22]([H:58]):[C:21](=[O:20]):[N:44]([H:71]):[C:42]:2=[O:43])([H:60])[C@@:40]([O:41][H:69])([H:70])[C@@:38]1([O:39][H:67])[H:68])([H:64])[H:65])(=[O:31])[O:32][H:61]