SMIRKS
[H][N:5]([C@@:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:28])([H:29])[H:30])[H:35])([C:6](=[O:7])[O:8][H:33])[H:34])[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:28])([H:29])[H:30])[H:35])([C:6](=[O:7])[O:8][H:33])[H:34])[H:31]
Derived Operators
EVODEX.1-F222 - Elemental Balance
| O | 3 |
| C | 5 |
| N | 1 |
| H | 7 |
EVODEX.1-M133 - Mass Difference
129.04261
EVODEX.1-E935 - Reaction Operator E
[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:70]
EVODEX.1-C367 - Reaction Operator C
[H]-[#7:5]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5]
EVODEX.1-N424 - Reaction Operator N
[H]-[#7:5](-[#6:4])-[H:50]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:4])-[H:50]
Source Full Reactions
EVODEX.1-R7671
[H][N:5]([C@@:4]([C:2]([C:1]([H:58])([H:59])[H:60])([C:3]([H:50])([H:51])[H:52])[H:57])([C:6](=[O:7])[O:8][H:55])[H:56])[H:53].[N:19]([C:20]1:[N:21]:[C:22]([H:61]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:62]):[N:28]:2[C@:29]1([H:63])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:64])[O:37][P:38](=[O:39])([O:40][H:65])[O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67])([H:68])[H:69])([H:70])[C@:46]([O:47][H:71])([H:72])[C@:48]1([O:49][H:73])[H:74])([H:75])[H:76].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:77])([H:78])[H:79])([H:80])[H:81])([C:16](=[O:17])[O:18][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14])[H:53])([C:6](=[O:7])[O:8][H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:70])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:61]):[N:21]:[C:20]([N:19]([H:75])[H:76]):[C:25]:3:[N:26]:[C:27]:2[H:62])([H:63])[C@@:48]([O:49][H:73])([H:74])[C@@:46]1([O:47][H:71])[H:72])([H:68])[H:69])(=[O:35])[O:36][H:64])(=[O:39])[O:40][H:65])[H:77].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]
EVODEX.1-R2884
[H][N:5]([C@@:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:28])([H:29])[H:30])[H:35])([C:6](=[O:7])[O:8][H:33])[H:34])[H:31].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:41]):[C:24]:1[H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])([H:50])[H:51]>>[C:1]([C:2]([C:3]([H:28])([H:29])[H:30])([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:50])[H:51])([C:25](=[O:26])[O:27][H:48])[H:49])([H:46])[H:47])([H:44])[H:45])=[O:14])[H:31])([C:6](=[O:7])[O:8][H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][N:15]([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:41]):[C:24]:1[H:42])[H:43]
EVODEX.1-R2889
[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C@:4]([N:5]([H:22])[H:23])([C:6](=[O:7])[O:8][H:24])[H:25])[H:26])([H:27])([H:28])[H:29].[H][N:9]([C:10](=[O:11])[C:12]([C:13]([C@@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38]>>[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C@@:4]([C:6](=[O:7])[O:8][H:24])([N:9]([C:10](=[O:11])[C:12]([C:13]([C@@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])[H:25])[H:26])([H:27])([H:28])[H:29].[H][N:5]([H:22])[H:23]