Water → HCID 91053387, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][c:4]1[n:5][cH:6][c:7]2[c:8]([n:31]1)[N:9]1[CH2:10][CH2:11][CH2:12][CH:13]1[CH2:14][N:15]([CH2:18][CH:19]1[CH2:20][CH2:21][N:22]([c:25]3[cH:26][n:27][cH:28][n:29][cH:30]3)[CH2:23][CH2:24]1)[C:16]2=[O:17].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:50][CH2:51][Cl:52].[OH2:49].[o:41]1[c:42]([C:46](=[O:47])[Cl:48])[cH:43][cH:44][cH:45]1>>[CH2:1]([CH3:2])[NH:3][c:4]1[n:5][cH:6][c:7]2[c:8]([n:31]1)[N:9]1[CH2:10][CH2:11][CH2:12][CH:13]1[CH2:14][N:15]([CH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:46]([c:42]3[o:41][cH:45][cH:44][cH:43]3)=[O:47])[CH2:23][CH2:24]1)[C:16]2=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-f7979b9d1d664cf1ad6d6b5f57f6d782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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