EVODEX Logo

EVODEX.1-P3749

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:13][S:14](=[O:15])(=[O:16])[O:17][H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]>>[H][O:13][C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:14](=[O:15])(=[O:16])[O:17][H:45])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

Derived Operators

EVODEX.1-F385 - Elemental Balance

P2
O10
C10
N5
H15

EVODEX.1-M27 - Mass Difference

427.02955

EVODEX.1-E1180 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:34]-[#8:35]-[#16:36](=[#8:37])(=[#8:38])-[#8:39]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[#16:36](=[#8:37])(=[#8:38])-[#8:39])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:34]-[#8:35]-[H]

EVODEX.1-C892 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:29]-[#8:32]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#16:29])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:32]

EVODEX.1-N1114 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:32]-[#6:33]

EVODEX.1-Em570 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15]-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

EVODEX.1-Cm258 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16:29]-[#8:32]>>[#8]-[#16:29].[H]-[#8:32]

EVODEX.1-Nm516 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15]-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

Source Full Reactions

EVODEX.1-R4581

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:13][S:14](=[O:15])(=[O:16])[O:17][H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70].[H][O:35][P:33]([O:32][C:31]([C@@:30]1([H:78])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:71]):[N:20]:[C:19]([N:18]([H:84])[H:85]):[C:24]:3:[N:25]:[C:26]:2[H:72])([H:73])[C@@:43]([O:44][H:82])([H:83])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:79])[O:42][H:80])[H:81])([H:76])[H:77])(=[O:34])[O:36][H:75]>>[H][O:13][C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47].[S:14](=[O:15])(=[O:16])([O:17][H:45])[O:35][P:33]([O:32][C:31]([C@@:30]1([H:78])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:71]):[N:20]:[C:19]([N:18]([H:84])[H:85]):[C:24]:3:[N:25]:[C:26]:2[H:72])([H:73])[C@@:43]([O:44][H:82])([H:83])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:79])[O:42][H:80])[H:81])([H:76])[H:77])(=[O:34])[O:36][H:75]