1-Butanol → HCID 20190410, compound
Reaction equation
[CH2:34]([OH:35])[CH2:36][CH2:37][CH3:38].[CH2:39]([Cl:40])[Cl:41].[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl:17][C:18](=[O:19])[c:20]1[cH:21][c:22](-[c:28]2[cH:29][n:30][cH:31][cH:32][cH:33]2)[n:23]2[c:27]1[CH2:26][S:25][CH2:24]2.[ClH:16].[NH2:1][CH2:2][c:3]1[cH:4][n:5][cH:6][cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][n:5][cH:6][cH:7][cH:8]1)[C:18](=[O:19])[c:20]1[cH:21][c:22](-[c:28]2[cH:29][n:30][cH:31][cH:32][cH:33]2)[n:23]2[c:27]1[CH2:26][S:25][CH2:24]2Participants
7
Sources & evidence
- ORD record
- ord-e4a96849d3b049d18298cee0b29b44ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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