1-Butanol → HCID 20190395, compound
Reaction equation
[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH2:40]([Cl:41])[Cl:42].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH2:6])[cH:7][cH:8][cH:9]1.[Cl:18][C:19](=[O:20])[c:21]1[cH:22][c:23](-[c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[n:24]2[c:28]1[CH2:27][S:26][CH2:25]2.[ClH:17]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:6][C:19](=[O:20])[c:21]2[cH:22][c:23](-[c:29]3[cH:30][n:31][cH:32][cH:33][cH:34]3)[n:24]3[c:28]2[CH2:27][S:26][CH2:25]3)[cH:7][cH:8][cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-8b6b9359634d4f628567f30be08313f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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