SMIRKS
[C:1]([C:2]([C@:3]([N:4]([C:5]([C:6]([H:47])([H:48])[H:49])=[O:7])[H:50])([C:8](=[O:9])[O:10][H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[N:16]([C:17]1:[N:18]:[C:19]([H:63]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:64]):[N:25]:2[C@:26]1([H:65])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:66])[O:34][P:35](=[O:36])([O:37][H:67])[O:38][P:39](=[O:40])([O:41][H:68])[O:42][H:69])([H:70])[H:71])([H:72])[C@:43]([O:44][H:73])([H:74])[C@:45]1([O:46][H:75])[H:76])([H:77])[H:78]>>[H]OC(=O)C([H])([H])N([H])[C:8]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([N:4]([C:5]([C:6]([H:47])([H:48])[H:49])=[O:7])[H:50])[H:52])=[O:9].[O:10]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:72])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:63]):[N:18]:[C:17]([N:16]([H:77])[H:78]):[C:22]:3:[N:23]:[C:24]:2[H:64])([H:65])[C@@:45]([O:46][H:75])([H:76])[C@@:43]1([O:44][H:73])[H:74])([H:70])[H:71])(=[O:32])[O:33][H:66])(=[O:36])[O:37][H:67])[H:51].[H][O:38][P:39](=[O:40])([O:41][H:68])[O:42][H:69]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1012 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:105].([#8:68]-[#15:69](=[#8:70])(-[#8:71])-[#8:72]-[#15:73].[#8:78]-[#6@@:77](-[#6@@:62])(-[H:128])-[#6@:79](-[#6@:60])(-[#8:80])-[H:130])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].([#8:44](-[#15:69](-[#8:68])(=[#8:70])-[#8:71])-[H:105].[#8:80]-[#6@:79](-[#6@:60])(-[H:130])-[#6@@:77](-[#6@@:62])(-[#8:78])-[H:128]).[#8:72](-[#15:73])-[H]
EVODEX.1-C816 - Reaction Operator C
[#6:7]-[#8:9].([#15:34]-[#8:37].[#6@:42]-[#6@:44])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7].[H]-[#8:37].([#8:9]-[#15:34].[#6@@:44]-[#6@@:42])
EVODEX.1-N1027 - Reaction Operator N
[#6:7](-[#6@:5])(=[#8:8])-[#8:9]-[H:51].([#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:75])-[#6@:44](-[#6@:25])(-[#8:45])-[H:77])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8].[H]-[#8:37]-[#15:38].([#8:9](-[#15:34](-[#8:33])(=[#8:35])-[#8:36])-[H:51].[#8:45]-[#6@:44](-[#6@:25])(-[H:77])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:75])
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-R7710
[C:1]([C:2]([C@:3]([N:4]([C:5]([C:6]([H:47])([H:48])[H:49])=[O:7])[H:50])([C:8](=[O:9])[O:10][H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][N:11]([C:12]([C:13](=[O:14])[O:15][H:58])([H:59])[H:60])[H:61].[N:16]([C:17]1:[N:18]:[C:19]([H:63]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:64]):[N:25]:2[C@:26]1([H:65])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:66])[O:34][P:35](=[O:36])([O:37][H:67])[O:38][P:39](=[O:40])([O:41][H:68])[O:42][H:69])([H:70])[H:71])([H:72])[C@:43]([O:44][H:73])([H:74])[C@:45]1([O:46][H:75])[H:76])([H:77])[H:78]>>[C:1]([C:2]([C@:3]([N:4]([C:5]([C:6]([H:47])([H:48])[H:49])=[O:7])[H:50])([C:8](=[O:9])[N:11]([C:12]([C:13](=[O:14])[O:15][H:58])([H:59])[H:60])[H:61])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[O:10]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:72])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:63]):[N:18]:[C:17]([N:16]([H:77])[H:78]):[C:22]:3:[N:23]:[C:24]:2[H:64])([H:65])[C@@:45]([O:46][H:75])([H:76])[C@@:43]1([O:44][H:73])[H:74])([H:70])[H:71])(=[O:32])[O:33][H:66])(=[O:36])[O:37][H:67])[H:51].[H][O:38][P:39](=[O:40])([O:41][H:68])[O:42][H:69]