Water → HCID 54274141, compound
Reaction equation
[C:1]([O:2][CH:6]([N:3]([CH3:4])[CH3:5])[N:7]([CH3:8])[CH3:9])([CH3:10])([CH3:11])[CH3:12].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:87][N:88]([CH3:89])[CH:90]=[O:91].[CH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][C:27](=[O:28])[C:29]1=[C:36]([CH3:37])[CH2:35][S:34][CH:33]2[N:30]1[C:31](=[O:79])[CH:32]2[NH:38][C:39]([C:40]([c:41]1[n:42][c:43]([NH:46][C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[s:44][cH:45]1)=[N:66][O:67][C:68]([CH3:69])([CH3:70])[C:71](=[O:72])[O:73][C:74]([CH3:75])([CH3:76])[CH3:77])=[O:78].[OH2:86]>>[CH:6]([N:7]([CH3:8])[CH3:9])=[CH:37][C:36]1=[C:29]([C:27]([O:26][CH:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:28])[N:30]2[C:31](=[O:79])[CH:32]([NH:38][C:39]([C:40]([c:41]3[n:42][c:43]([NH:46][C:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[s:44][cH:45]3)=[N:66][O:67][C:68]([CH3:69])([CH3:70])[C:71](=[O:72])[O:73][C:74]([CH3:75])([CH3:76])[CH3:77])=[O:78])[CH:33]2[S:34][CH2:35]1Participants
6
Sources & evidence
- ORD record
- ord-c1383f72921c41f8bd424367a145e2ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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