1-Butanol → HCID 60205495, compound
Reaction equation
[Br:1][c:2]1[c:3]([F:20])[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19].[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[ClH:21].[N:22]1([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH:23]2[CH:24]([CH2:25][CH2:26]1)[CH2:27][NH:28][CH2:29]2>>[Br:1][c:2]1[c:3]([N:28]2[CH2:27][CH:24]3[CH:23]([N:22]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:26][CH2:25]3)[CH2:29]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19]Participants
6
Sources & evidence
- ORD record
- ord-2c5a417b6f63485e8584574f549ccb22
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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