1-Butanol → HCID 58547720, compound
Reaction equation
[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]2[Cl:12])[CH2:4]1.[nH:13]1[c:14]([C:22](=[O:23])[OH:24])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[N:1]1([C:22]([c:14]2[nH:13][c:17]3[c:16]([n:15]2)[cH:21][cH:20][cH:19][cH:18]3)=[O:23])[CH2:2][CH:3]([O:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]2[Cl:12])[CH2:4]1Participants
7
Sources & evidence
- ORD record
- ord-0d9ef35f077842d4b0ef01474d67b263
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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