EVODEX Logo

EVODEX.1-P3289

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:45]):[N:4]([C@@:5]2([H:46])[C:6]([H:47])([H:48])[C@@:7]([O:8][H:49])([H:50])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:51])[O:15][H:52])([H:53])[H:54])([H:55])[O:16]2):[C:17](=[O:18]):[N:19]([H:56]):[C:20]:1=[O:21])([H:57])([H:58])[H:59]>>[H][O:11][C:10]([C@:9]1([H:55])[C@:7]([O:8][H:49])([H:50])[C:6]([H:47])([H:48])[C@@:5]([N:4]2:[C:3]([H:45]):[C:2]([C:1]([H:57])([H:58])[H:59]):[C:20](=[O:21]):[N:19]([H:56]):[C:17]:2=[O:18])([H:46])[O:16]1)([H:53])[H:54].[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])O[P:12](=[O:13])([O:14][H:51])[O:15][H:52]

Derived Operators

EVODEX.1-F283 - Elemental Balance

P1
O7
C10
N5
H14

EVODEX.1-M78 - Mass Difference

347.06321999999994

EVODEX.1-E1039 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:27](-[#6@:26])-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#8:27](-[#6@:26])-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#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]

EVODEX.1-C977 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:48]-[#15:49].[#6@@:36])>>[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]-[#15:49].([H]-[#8:48].[#6@:36])

EVODEX.1-N1625 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6@@:7](-[#8:8])(-[H:50])-[#6@:9]-[#6:10]-[#8:11]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]>>[H]-[#8:11]-[#6:10]-[#6@:9]-[#6@:7](-[#8:8])(-[H:50])-[#6:6].[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]-[#15:12](=[#8:13])(-[#8:14])-[#8:15]

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-R3930

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:45]):[N:4]([C@@:5]2([H:46])[C:6]([H:47])([H:48])[C@@:7]([O:8][H:49])([H:50])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:51])[O:15][H:52])([H:53])[H:54])([H:55])[O:16]2):[C:17](=[O:18]):[N:19]([H:56]):[C:20]:1=[O:21])([H:57])([H:58])[H:59].[H][O:39][P:37]([O:36][C:35]([C@@:34]1([H:67])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:60]):[N:24]:[C:23]([N:22]([H:72])[H:73]):[C:28]:3:[N:29]:[C:30]:2[H:61])([H:62])[C@@:43]([O:44][H:70])([H:71])[C@@:41]1([O:42][H:68])[H:69])([H:65])[H:66])(=[O:38])[O:40][H:64]>>[H][O:11][C:10]([C@:9]1([H:55])[C@:7]([O:8][H:49])([H:50])[C:6]([H:47])([H:48])[C@@:5]([N:4]2:[C:3]([H:45]):[C:2]([C:1]([H:57])([H:58])[H:59]):[C:20](=[O:21]):[N:19]([H:56]):[C:17]:2=[O:18])([H:46])[O:16]1)([H:53])[H:54].[P:12](=[O:13])([O:14][H:51])([O:15][H:52])[O:39][P:37]([O:36][C:35]([C@@:34]1([H:67])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:60]):[N:24]:[C:23]([N:22]([H:72])[H:73]):[C:28]:3:[N:29]:[C:30]:2[H:61])([H:62])[C@@:43]([O:44][H:70])([H:71])[C@@:41]1([O:42][H:68])[H:69])([H:65])[H:66])(=[O:38])[O:40][H:64]