EVODEX.1-P5991 - Partial Reaction

SMIRKS

[H]OC1([H])C([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)OC([H])(C([H])([H])OP(=O)(O[H])[O:22][P:19]([O:18][P:15]([O:14][C:13]([C@@:12]2([H:72])[O:11][C@:10]([N:9]3:[C:8]([H:53]):[N:7]:[C:6]4:[C:4](=[O:5]):[N:3]([H:52]):[C:2](=[N:1][H:78]):[N:50]([H:77]):[C:49]:4:3)([H:54])[C@@:47]([O:48][H:75])([H:76])[C@@:45]2([O:46][H:73])[H:74])([H:70])[H:71])(=[O:16])[O:17][H:55])(=[O:20])[O:21][H:56])C1([H])O[H]>>[H][O:22][P:19]([O:18][P:15]([O:14][C:13]([C@@:12]1([H:72])[O:11][C@:10]([N:9]2:[C:8]([H:53]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:52]):[C:2](=[N:1][H:78]):[N:50]([H:77]):[C:49]:3:2)([H:54])[C@@:47]([O:48][H:75])([H:76])[C@@:45]1([O:46][H:73])[H:74])([H:70])[H:71])(=[O:16])[O:17][H:55])(=[O:20])[O:21][H:56]

Derived Operators

EVODEX.1-F123 - Elemental Balance

P	-1
O	-6
C	-10
N	-5
H	-12

EVODEX.1-M64 - Mass Difference

-329.05266

EVODEX.1-E749 - Reaction Operator E

[#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]-[H])-[#8:50]-[#15:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:50](-[#15:51])-[H]

EVODEX.1-C93 - Reaction Operator C

[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])-[#8:50]>>[H]-[#8:50]

EVODEX.1-N146 - Reaction Operator N

EVODEX.1-Em35 - Reaction Operator Em

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

EVODEX.1-Cm44 - Reaction Operator Cm

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm37 - Reaction Operator Nm

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

Source Full Reactions

EVODEX.1-R6633

[N:1](=[C:2]1:[N:3]([H:52]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:53]):[N:9]([C@:10]3([H:54])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:55])[O:18][P:19](=[O:20])([O:21][H:56])[O:22][P:23](=[O:24])([O:25][H:57])[O:26][C:27]([C:28]4([H:58])[O:29][C:30]([N:31]5:[C:32]([H:59]):[N:33]:[C:34]6:[C:35]([N:36]([H:60])[H:61]):[N:37]:[C:38]([H:62]):[N:39]:[C:40]:5:6)([H:63])[C:41]([O:42][H:64])([H:65])[C:43]4([O:44][H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@:47]3([O:48][H:75])[H:76]):[C:49]:2:[N:50]:1[H:77])[H:78].[H][O:51][H:79]>>[H][O:22][P:19]([O:18][P:15]([O:14][C:13]([C@@:12]1([H:72])[O:11][C@:10]([N:9]2:[C:8]([H:53]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:52]):[C:2](=[N:1][H:78]):[N:50]([H:77]):[C:49]:3:2)([H:54])[C@@:47]([O:48][H:75])([H:76])[C@@:45]1([O:46][H:73])[H:74])([H:70])[H:71])(=[O:16])[O:17][H:55])(=[O:20])[O:21][H:56].[P:23](=[O:24])([O:25][H:57])([O:26][C:27]([C:28]1([H:58])[O:29][C:30]([N:31]2:[C:32]([H:59]):[N:33]:[C:34]3:[C:35]([N:36]([H:60])[H:61]):[N:37]:[C:38]([H:62]):[N:39]:[C:40]:2:3)([H:63])[C:41]([O:42][H:64])([H:65])[C:43]1([O:44][H:66])[H:67])([H:68])[H:69])[O:51][H:79]