SMIRKS
[N:14]([C:15]1:[N:16]:[C:17]([H:52]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:53]):[N:23]:2[C@:24]1([H:54])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:55])[O:32][P:33](=[O:34])([O:35][H:56])[O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58])([H:59])[H:60])([H:61])[C@:41]([O:42][H:62])([H:63])[C@:43]1([O:44][H:64])[H:65])([H:66])[H:67].[N:7]([C@@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])([H:73])[H:74]>>[H]OC(=O)[C@@]([H])(N([H])[C:11]([C@@:8]([N:7]([H:73])[H:74])([C:9]([O:10][H:68])([H:69])[H:70])[H:72])=[O:12])C([H])([H])[H].[O:13]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:61])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:52]):[N:16]:[C:15]([N:14]([H:66])[H:67]):[C:20]:3:[N:21]:[C:22]:2[H:53])([H:54])[C@@:43]([O:44][H:64])([H:65])[C@@:41]1([O:42][H:62])[H:63])([H:59])[H:60])(=[O:30])[O:31][H:55])(=[O:34])[O:35][H:56])[H:71].[H][O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E808 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].([#8:69]-[#15:70](=[#8:71])(-[#8:72])-[#8:73]-[#15:74].[#8:79]-[#6@@:78](-[#6@@:63])(-[H:133])-[#6@:80](-[#6@:61])(-[#8:81])-[H:135])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:70](-[#8:69])(=[#8:71])-[#8:72])-[H:108].[#8:81]-[#6@:80](-[#6@:61])(-[H:135])-[#6@@:78](-[#6@@:63])(-[#8:79])-[H:133]).[#8:73](-[#15:74])-[H]
EVODEX.1-C941 - Reaction Operator C
([#15:39]-[#8:42].[#6@:47]-[#6@:49]).[#6:17]-[#8:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[H])-[H].([#8:19]-[#15:39].[#6@@:49]-[#6@@:47]).[H]-[#8:42]
EVODEX.1-N1178 - Reaction Operator N
([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:69])-[#6@:49](-[#6@:30])(-[#8:50])-[H:71]).[#6:17](-[#6@@:8])(=[#8:18])-[#8:19]-[H:81]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:8])=[#8:18])-[#6](-[H])(-[H])-[H].([#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:81].[#8:50]-[#6@:49](-[#6@:30])(-[H:71])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:69]).[H]-[#8:42]-[#15:43]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7842
[H][N:3]([C@@:2]([C:1]([H:49])([H:50])[H:51])([C:4](=[O:5])[O:6][H:47])[H:48])[H:45].[N:14]([C:15]1:[N:16]:[C:17]([H:52]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:53]):[N:23]:2[C@:24]1([H:54])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:55])[O:32][P:33](=[O:34])([O:35][H:56])[O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58])([H:59])[H:60])([H:61])[C@:41]([O:42][H:62])([H:63])[C@:43]1([O:44][H:64])[H:65])([H:66])[H:67].[N:7]([C@@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])([H:73])[H:74]>>[C:1]([C@:2]([N:3]([C:11]([C@@:8]([N:7]([H:73])[H:74])([C:9]([O:10][H:68])([H:69])[H:70])[H:72])=[O:12])[H:45])([C:4](=[O:5])[O:6][H:47])[H:48])([H:49])([H:50])[H:51].[O:13]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:61])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:52]):[N:16]:[C:15]([N:14]([H:66])[H:67]):[C:20]:3:[N:21]:[C:22]:2[H:53])([H:54])[C@@:43]([O:44][H:64])([H:65])[C@@:41]1([O:42][H:62])[H:63])([H:59])[H:60])(=[O:30])[O:31][H:55])(=[O:34])[O:35][H:56])[H:71].[H][O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58]