SMIRKS
[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]1:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:1[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:1[H:66])[H:67])[H:68])[H:69])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:36](=[O:37])[O:38][H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87]>>[H]C1:C(N([H])[C:36]([C@@:28]([N:27]([C:25]([C@:4]([C:2]([C:1]([H:85])([H:86])[H:87])([C:3]([H:52])([H:53])[H:54])[H:84])([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]2:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:2[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]2:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:2[H:66])[H:67])[H:68])[H:69])[H:83])=[O:26])[H:82])([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:81])=[O:37]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:38][H:80]
Derived Operators
EVODEX.1-F321 - Elemental Balance
| O | 2 |
| C | 10 |
| N | 1 |
| H | 9 |
EVODEX.1-M332 - Mass Difference
175.06337
EVODEX.1-E1104 - Reaction Operator E
[#8:14]=[#6:15](-[#8:16]-[H:33])-[#6:17]>>[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:14])-[#6:17])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])(-[H])-[H].[#8:16](-[H:33])-[H]
EVODEX.1-C635 - Reaction Operator C
[#6:36]-[#8:38]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:36]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:38]
EVODEX.1-N790 - Reaction Operator N
[#6:36](-[#6@@:28])(=[#8:37])-[#8:38]-[H:80]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:36](-[#6@@:28])=[#8:37]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:38]-[H:80]
EVODEX.1-Em71 - Reaction Operator Em
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
EVODEX.1-Nm85 - Reaction Operator Nm
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
Source Full Reactions
EVODEX.1-R5978
[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]1:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:1[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:1[H:66])[H:67])[H:68])[H:69])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:36](=[O:37])[O:38][H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87].[H][N:48]([C:47]1:[C:46]([H:89]):[C:45]2:[O:44]:[C:42](=[O:43]):[C:41]([H:88]):[C:40]([C:39]([H:94])([H:95])[H:96]):[C:51]:2:[C:50]([H:93]):[C:49]:1[H:92])[H:90]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]1:[C:11]([H:55]):[C:12]([H:56]):[C:13]([H:57]):[C:14]([H:58]):[C:15]:1[H:59])([H:60])[H:61])([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:62]):[C:21]([H:63]):[C:22]([H:64]):[C:23]([H:65]):[C:24]:1[H:66])[H:67])[H:68])[H:69])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([C:33](=[N:34][H:70])[N:35]([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:36](=[O:37])[N:48]([C:47]1:[C:46]([H:89]):[C:45]2:[O:44]:[C:42](=[O:43]):[C:41]([H:88]):[C:40]([C:39]([H:94])([H:95])[H:96]):[C:51]:2:[C:50]([H:93]):[C:49]:1[H:92])[H:90])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87].[H][O:38][H:80]