1-Butanol → HCID 44582130, compound
Reaction equation
[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[Cl:17][c:18]1[n:19][cH:20][n:21][c:22]2[c:23]1[nH:24][cH:25][n:26]2.[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:7]2[n:8][cH:9][n:10]1.[OH:27][c:28]1[cH:29][c:30]([CH2:31][NH2:32])[cH:33][cH:34][cH:35]1>>[c:2]1([NH:32][CH2:31][c:30]2[cH:29][c:28]([OH:27])[cH:35][cH:34][cH:33]2)[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:7]2[n:8][cH:9][n:10]1Participants
9
Sources & evidence
- ORD record
- ord-9a3f49f9932d4b8d957efc52bc537f7e
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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