SMIRKS
[C:1]([C:2]([C:3]([N:4]([H:46])[H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])([H:52])([H:53])[H:54].[N:19]([C:20]1:[N:21]:[C:22]([H:55]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:56]):[N:28]:2[C@@:29]1([H:57])[O:30][C@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:58])[O:37][P:38](=[O:39])([O:40][H:59])[O:41][H:60])([H:61])[H:62])([H:63])[C@@:42]([O:43][H:64])([H:65])[C@@:44]1([O:45][H:66])[H:67])([H:68])[H:69]>>[H]OC(=O)[C@@]([H])(N([H])[C:5]([C:2]([C:1]([H:52])([H:53])[H:54])([C:3]([N:4]([H:46])[H:47])([H:48])[H:49])[H:51])=[O:6])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[H][O:37][P:38](=[O:39])([O:40][H:59])[O:41][H:60].[O:7]([P:34]([O:33][C:32]([C@:31]1([H:63])[O:30][C@@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:55]):[N:21]:[C:20]([N:19]([H:68])[H:69]):[C:25]:3:[N:26]:[C:27]:2[H:56])([H:57])[C@:44]([O:45][H:66])([H:67])[C@:42]1([O:43][H:64])[H:65])([H:61])[H:62])(=[O:35])[O:36][H:58])[H:50]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E916 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8:10]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8:44]-[#15:45].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:87])-[#6@:51](-[#6@:32])(-[#8:52])-[H:89])>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:10](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:89])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:87]).[#8:44](-[#15:45])-[H]
EVODEX.1-C795 - Reaction Operator C
[#6:22]-[#8:24].([#15:44]-[#8:47].[#6@:52]-[#6@:54])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24]-[#15:44].[#6@@:54]-[#6@@:52]).[H]-[#8:47]
EVODEX.1-N1006 - Reaction Operator N
[#6:22](-[#6@@:13])(=[#8:23])-[#8:24]-[H:63].([#8:43]-[#15:44](=[#8:45])(-[#8:46])-[#8:47]-[#15:48].[#8:53]-[#6@@:52](-[#6@@:37])(-[H:87])-[#6@:54](-[#6@:35])(-[#8:55])-[H:89])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22](-[#6@@:13])=[#8:23])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24](-[#15:44](-[#8:43])(=[#8:45])-[#8:46])-[H:63].[#8:55]-[#6@:54](-[#6@:35])(-[H:89])-[#6@@:52](-[#6@@:37])(-[#8:53])-[H:87]).[H]-[#8:47]-[#15:48]
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-R7565
[C:1]([C:2]([C:3]([N:4]([H:46])[H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])([H:52])([H:53])[H:54].[N:19]([C:20]1:[N:21]:[C:22]([H:55]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:56]):[N:28]:2[C@@:29]1([H:57])[O:30][C@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:58])[O:37][P:38](=[O:39])([O:40][H:59])[O:41][H:60])([H:61])[H:62])([H:63])[C@@:42]([O:43][H:64])([H:65])[C@@:44]1([O:45][H:66])[H:67])([H:68])[H:69].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:70]):[N:13]:[C:14]([H:71]):[N:15]:1[H:72])([H:73])[H:74])([C:16](=[O:17])[O:18][H:75])[H:76])[H:77]>>[C:1]([C:2]([C:3]([N:4]([H:46])[H:47])([H:48])[H:49])([C:5](=[O:6])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:70]):[N:13]:[C:14]([H:71]):[N:15]:1[H:72])([H:73])[H:74])([C:16](=[O:17])[O:18][H:75])[H:76])[H:77])[H:51])([H:52])([H:53])[H:54].[H][O:37][P:38](=[O:39])([O:40][H:59])[O:41][H:60].[O:7]([P:34]([O:33][C:32]([C@:31]1([H:63])[O:30][C@@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:55]):[N:21]:[C:20]([N:19]([H:68])[H:69]):[C:25]:3:[N:26]:[C:27]:2[H:56])([H:57])[C@:44]([O:45][H:66])([H:67])[C@:42]1([O:43][H:64])[H:65])([H:61])[H:62])(=[O:35])[O:36][H:58])[H:50]