1-Butanol → HCID 178471340, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH2:21])([CH3:22])[CH3:23])=[O:24].[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH2:67]([OH:68])[CH2:69][CH2:70][CH3:71].[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[ClH:25].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:26][c:27]1[n:28][o:29][c:30]([C:32](=[O:33])[OH:34])[cH:31]1.[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH:21][C:32]([c:30]1[o:29][n:28][c:27]([OH:26])[cH:31]1)=[O:33])([CH3:22])[CH3:23])=[O:24]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e651ac7ee74c42eca07e0fb02ac5a3e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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