EVODEX Logo

EVODEX.1-P3340

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]>>[H]OP(=O)(O[H])[O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1027 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:34]-[#6@@:35](-[#8:36])(-[H:62])-[#6@:37]-[#6:38]-[#8:39]-[H]>>[#15](=[#8])(-[#8]-[H])(-[#8]-[H])-[#8:39]-[#6:38]-[#6@:37]-[#6@:35](-[#8:36])(-[H:62])-[#6:34]

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]

EVODEX.1-N12 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#6:26]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#6:26]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3987

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][P:16](=[O:17])([O:18][H:44])[O:19][P:20](=[O:21])([O:22][H:45])[O:23][H:46])([H:47])[H:48])([H:49])[C@:24]([O:25][H:50])([H:51])[C@:26]1([O:27][H:52])[H:53])([H:54])[H:55].[H][O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:49])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:26]([O:27][H:52])([H:53])[C@@:24]1([O:25][H:50])[H:51])([H:47])[H:48])(=[O:17])[O:18][H:44].[P:20](=[O:21])([O:22][H:45])([O:23][H:46])[O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]