SMIRKS
[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:52])[C:18]([H:53])([H:54])[C:19]([H:55])([H:56])[C:20]([H:57])([H:58])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26]2:[C:27]([H:59]):[N:28]([H:60]):[C:29]3:[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]([H:64]):[C:34]:2:3)([H:65])[H:66])([N:35]([C:36](=[O:37])[O:38][C:39]([C:40]2:[C:41]([H:67]):[C:42]([H:68]):[C:43]([H:69]):[C:44]([H:70]):[C:45]:2[H:71])([H:72])[H:73])[H:74])[H:75]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H].[H][O:48][H:82]>>[C:15](=[O:16])([C@:17]1([H:52])[C:18]([H:53])([H:54])[C:19]([H:55])([H:56])[C:20]([H:57])([H:58])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]1:[C:27]([H:59]):[N:28]([H:60]):[C:29]2:[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]([H:64]):[C:34]:1:2)([H:65])[H:66])([N:35]([C:36](=[O:37])[O:38][C:39]([C:40]1:[C:41]([H:67]):[C:42]([H:68]):[C:43]([H:69]):[C:44]([H:70]):[C:45]:1[H:71])([H:72])[H:73])[H:74])[H:75])[O:48][H:82]
Derived Operators
EVODEX.1-F480 - Elemental Balance
| C | -11 |
| O | -3 |
| N | -2 |
| H | -10 |
EVODEX.1-M165 - Mass Difference
-218.0692
EVODEX.1-E1295 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:16])-[#6@:17])-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[H])-[H].[#8:46](-[H:79])-[H]>>[#6:15](=[#8:16])(-[#6@:17])-[#8:46]-[H:79]
EVODEX.1-C1013 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H].[H]-[#8:48]>>[#6:15]-[#8:48]
EVODEX.1-N1266 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15](=[#8:16])-[#6@:17]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H].[H]-[#8:48]-[H:82]>>[#6:15](=[#8:16])(-[#6@:17])-[#8:48]-[H:82]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5822
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:49]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:50]):[C:12]([H:51]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:52])[C:18]([H:53])([H:54])[C:19]([H:55])([H:56])[C:20]([H:57])([H:58])[N:21]3[C:22](=[O:23])[C@:24]([C:25]([C:26]3:[C:27]([H:59]):[N:28]([H:60]):[C:29]4:[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]([H:64]):[C:34]:3:4)([H:65])[H:66])([N:35]([C:36](=[O:37])[O:38][C:39]([C:40]3:[C:41]([H:67]):[C:42]([H:68]):[C:43]([H:69]):[C:44]([H:70]):[C:45]:3[H:71])([H:72])[H:73])[H:74])[H:75])[H:76]):[C:46]([H:77]):[C:47]:1:2)([H:78])[H:79])([H:80])[H:81].[H][O:48][H:82]>>[C:15](=[O:16])([C@:17]1([H:52])[C:18]([H:53])([H:54])[C:19]([H:55])([H:56])[C:20]([H:57])([H:58])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]1:[C:27]([H:59]):[N:28]([H:60]):[C:29]2:[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]([H:64]):[C:34]:1:2)([H:65])[H:66])([N:35]([C:36](=[O:37])[O:38][C:39]([C:40]1:[C:41]([H:67]):[C:42]([H:68]):[C:43]([H:69]):[C:44]([H:70]):[C:45]:1[H:71])([H:72])[H:73])[H:74])[H:75])[O:48][H:82].[H][N:14]([C:13]1:[C:12]([H:51]):[C:11]([H:50]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:49]):[C:5]([C:4]([C:2]([N:1]([H:80])[H:81])=[O:3])([H:78])[H:79]):[C:47]:2:[C:46]:1[H:77])[H:76]