SMIRKS
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:52])[O:7][C@:6]([N:5]2:[C:4]([H:46]):[C:3]([H:45]):[C:2]([N:1]([H:57])[H:58]):[N:21]:[C:19]:2=[O:20])([H:47])[C@@:17]([O:18][H:55])([H:56])[C@@:15]1([O:16][H:53])[H:54])([H:50])[H:51])(=[O:12])[O:14][H:49]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:13][P:11]([O:10][C:9]([C@@:8]2([H:52])[O:7][C@:6]([N:5]3:[C:4]([H:46]):[C:3]([H:45]):[C:2]([N:1]([H:57])[H:58]):[N:21]:[C:19]:3=[O:20])([H:47])[C@@:17]([O:18][H:55])([H:56])[C@@:15]2([O:16][H:53])[H:54])([H:50])[H:51])(=[O:12])[O:14][H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F44 - Elemental Balance
| O | 5 |
| C | 6 |
| H | 10 |
EVODEX.1-M15 - Mass Difference
162.0528
EVODEX.1-E526 - Reaction Operator E
[#15:21]-[#8:23]-[H]>>[#15:21]-[#8:23]-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]
EVODEX.1-C24 - Reaction Operator C
[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N448 - Reaction Operator N
[H]-[#8:20]-[#15:18]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20]-[#15:18])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R3212
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:52])[O:7][C@:6]([N:5]2:[C:4]([H:46]):[C:3]([H:45]):[C:2]([N:1]([H:57])[H:58]):[N:21]:[C:19]:2=[O:20])([H:47])[C@@:17]([O:18][H:55])([H:56])[C@@:15]1([O:16][H:53])[H:54])([H:50])[H:51])(=[O:12])[O:14][H:49].[O:22]([C:23]([C@@:24]1([H:59])[O:25][C@@:26]([C:27]([O:28][H:60])([H:61])[H:62])([O:29][C@@:30]2([H:63])[O:31][C@@:32]([C:33]([O:34][H:64])([H:65])[H:66])([H:67])[C@:35]([O:36][H:68])([H:69])[C@@:37]([O:38][H:70])([H:71])[C@:39]2([O:40][H:72])[H:73])[C@:41]([O:42][H:74])([H:75])[C@@:43]1([O:44][H:76])[H:77])([H:78])[H:79])[H:80]>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@:6]2([H:47])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][C@@:30]3([H:63])[O:31][C@@:32]([C:33]([O:34][H:64])([H:65])[H:66])([H:67])[C@:35]([O:36][H:68])([H:69])[C@@:37]([O:38][H:70])([H:71])[C@:39]3([O:40][H:72])[H:73])[O:14][H:49])([H:50])[H:51])([H:52])[C@:15]([O:16][H:53])([H:54])[C@:17]2([O:18][H:55])[H:56]):[C:19](=[O:20]):[N:21]:1)([H:57])[H:58].[H][O:29][C:26]1([C:27]([O:28][H:60])([H:61])[H:62])[O:25][C@@:24]([C:23]([O:22][H:80])([H:78])[H:79])([H:59])[C@:43]([O:44][H:76])([H:77])[C@@:41]1([O:42][H:74])[H:75]