EVODEX.1-P3544 - Partial Reaction

SMIRKS

[H]OP(=O)(O[H])[O:36][C:35]([C@:34]1([H:84])[C@:32]([O:33][H:78])([H:79])[C:31]([H:76])([H:77])[C@@:30]([N:29]2:[C:28]([H:74]):[C:27]([H:73]):[C:26](=[O:25]):[N:44]([H:85]):[C:42]:2=[O:43])([H:75])[O:41]1)([H:82])[H:83]>>[H][O:36][C:35]([C@:34]1([H:84])[C@:32]([O:33][H:78])([H:79])[C:31]([H:76])([H:77])[C@@:30]([N:29]2:[C:28]([H:74]):[C:27]([H:73]):[C:26](=[O:25]):[N:44]([H:85]):[C:42]:2=[O:43])([H:75])[O:41]1)([H:82])[H:83]

Derived Operators

EVODEX.1-F114 - Elemental Balance

P	-1
O	-3
H	-1

EVODEX.1-M33 - Mass Difference

-79.96633

EVODEX.1-E726 - Reaction Operator E

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

EVODEX.1-C46 - Reaction Operator C

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

EVODEX.1-N570 - Reaction Operator N

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:36]-[#6:35]>>[H]-[#8:36]-[#6:35]

EVODEX.1-Em79 - Reaction Operator Em

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

EVODEX.1-Cm44 - Reaction Operator Cm

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

EVODEX.1-Nm100 - Reaction Operator Nm

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

Source Full Reactions

EVODEX.1-R4253

[H][O:23][P:21]([O:20][P:17]([O:16][C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:70])([H:71])[H:72])[C:3]([H:45])([H:46])[H:47])[H:69])([H:67])[H:68])([H:65])[H:66])[C:8]([H:48])([H:49])[H:50])[H:64])([H:62])[H:63])([H:60])[H:61])[C:13]([H:51])([H:52])[H:53])[H:59])([H:57])[H:58])(=[O:18])[O:19][H:54])(=[O:22])[O:24][H:56].[O:25]=[C:26]1:[C:27]([H:73]):[C:28]([H:74]):[N:29]([C@@:30]2([H:75])[C:31]([H:76])([H:77])[C@@:32]([O:33][H:78])([H:79])[C@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:80])[O:40][H:81])([H:82])[H:83])([H:84])[O:41]2):[C:42](=[O:43]):[N:44]:1[H:85]>>[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:48])([H:49])[H:50])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:51])([H:52])[H:53])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:54])[O:20][P:21](=[O:22])([O:23][P:37](=[O:38])([O:39][H:80])[O:40][H:81])[O:24][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:71])[H:72].[H][O:36][C:35]([C@:34]1([H:84])[C@:32]([O:33][H:78])([H:79])[C:31]([H:76])([H:77])[C@@:30]([N:29]2:[C:28]([H:74]):[C:27]([H:73]):[C:26](=[O:25]):[N:44]([H:85]):[C:42]:2=[O:43])([H:75])[O:41]1)([H:82])[H:83]

EVODEX.1-R5031

[O:2]=[C:3]1:[C:4]([H:22]):[C:5]([H:23]):[N:6]([C@@:7]2([H:24])[C:8]([H:25])([H:26])[C@@:9]([O:10][H:27])([H:28])[C@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:29])[O:17][H:30])([H:31])[H:32])([H:33])[O:18]2):[C:19](=[O:20]):[N:21]:1[H:34].[H][O:1][H:35]>>[H][O:13][P:14](=[O:15])([O:16][H:29])[O:17][H:30].[O:1]([C:12]([C@:11]1([H:33])[C@:9]([O:10][H:27])([H:28])[C:8]([H:25])([H:26])[C@@:7]([N:6]2:[C:5]([H:23]):[C:4]([H:22]):[C:3](=[O:2]):[N:21]([H:34]):[C:19]:2=[O:20])([H:24])[O:18]1)([H:31])[H:32])[H:35]