SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:58]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:59]):[N:29]:2[C@:30]1([H:60])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:61])[O:38][P:39](=[O:40])([O:41][H:62])[O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64])([H:65])[H:66])([H:67])[C@:47]([O:48][H:68])([H:69])[C@:49]1([O:50][H:70])[H:71])([H:72])[H:73].[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([O:14][H:76]):[C:15]([H:77]):[C:16]:1[H:78])([H:79])[H:80])([C:17](=[O:18])[O:19][H:81])[H:82])([H:83])[H:84]>>[H]OC(=O)[C@@]([H])(N([H])[C:17]([C@@:8]([N:7]([H:83])[H:84])([C:9]([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([O:14][H:76]):[C:15]([H:77]):[C:16]:1[H:78])([H:79])[H:80])[H:82])=[O:18])C([H])([H])[H].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:67])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:58]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:59])([H:60])[C@@:49]([O:50][H:70])([H:71])[C@@:47]1([O:48][H:68])[H:69])([H:65])[H:66])(=[O:36])[O:37][H:61])(=[O:40])[O:41][H:62])[H:81].[H][O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64]
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-R7852
[H][N:3]([C@@:2]([C:1]([H:55])([H:56])[H:57])([C:4](=[O:5])[O:6][H:53])[H:54])[H:51].[N:20]([C:21]1:[N:22]:[C:23]([H:58]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:59]):[N:29]:2[C@:30]1([H:60])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:61])[O:38][P:39](=[O:40])([O:41][H:62])[O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64])([H:65])[H:66])([H:67])[C@:47]([O:48][H:68])([H:69])[C@:49]1([O:50][H:70])[H:71])([H:72])[H:73].[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([O:14][H:76]):[C:15]([H:77]):[C:16]:1[H:78])([H:79])[H:80])([C:17](=[O:18])[O:19][H:81])[H:82])([H:83])[H:84]>>[C:1]([C@:2]([N:3]([C:17]([C@@:8]([N:7]([H:83])[H:84])([C:9]([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([O:14][H:76]):[C:15]([H:77]):[C:16]:1[H:78])([H:79])[H:80])[H:82])=[O:18])[H:51])([C:4](=[O:5])[O:6][H:53])[H:54])([H:55])([H:56])[H:57].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:67])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:58]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:59])([H:60])[C@@:49]([O:50][H:70])([H:71])[C@@:47]1([O:48][H:68])[H:69])([H:65])[H:66])(=[O:36])[O:37][H:61])(=[O:40])[O:41][H:62])[H:81].[H][O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64]