SMIRKS
[N:14]([C:15]([C:16]([C:17]([C:18]([C@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]1:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:1[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])([C:49](=[O:50])[O:51][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99]>>[H]C1:C(N([H])[C:49]([C@:19]([C:18]([C:17]([C:16]([C:15]([N:14]([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]2:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:2[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:89])=[O:50]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:51][H:88]
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-R5838
[H][N:10]([C:9]1:[C:8]([H:53]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:52]):[C:2]([C:1]([H:58])([H:59])[H:60]):[C:13]:2:[C:12]([H:57]):[C:11]:1[H:56])[H:54].[N:14]([C:15]([C:16]([C:17]([C:18]([C@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]1:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:1[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])([C:49](=[O:50])[O:51][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99]>>[C:1]([C:2]1:[C:3]([H:52]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:53]):[C:9]([N:10]([C:49]([C@:19]([C:18]([C:17]([C:16]([C:15]([N:14]([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]([C:26]([C:27]([N:28]([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:71])([H:72])[H:73])([H:74])[H:75])([N:38]([C:39](=[O:40])[O:41][C:42]([C:43]3:[C:44]([H:76]):[C:45]([H:77]):[C:46]([H:78]):[C:47]([H:79]):[C:48]:3[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:89])=[O:50])[H:54]):[C:11]([H:56]):[C:12]([H:57]):[C:13]:1:2)([H:58])([H:59])[H:60].[H][O:51][H:88]