Isopropanol → HCID 67444005, compound
Reaction equation
[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N:32]1[CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:45]([OH:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[n:11]1>>[c:2]1([NH:37][CH:34]2[CH2:33][N:32]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:36][CH2:35]2)[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[n:11]1Participants
5
Sources & evidence
- ORD record
- ord-44033d81cc274a24ac73da8b43ee38bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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