1-Butanol → HCID 73091749, compound
Reaction equation
[C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)(=[O:13])[c:14]1[c:15]([NH:20][CH:21]([C:22](=[O:23])[OH:24])[CH2:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[cH:33][c:34]([N:38]([C:39](=[O:40])[NH:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH3:49])[cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[cH:16][cH:17][cH:18][cH:19]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[OH:5].[Cl:50][CH2:51][Cl:52]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:24][C:22]([CH:21]([NH:20][c:15]1[c:14]([C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)=[O:13])[cH:19][cH:18][cH:17][cH:16]1)[CH2:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[cH:33][c:34]([N:38]([C:39](=[O:40])[NH:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH3:49])[cH:35][cH:36][cH:37]2)[cH:30][cH:31]1)=[O:23]Participants
4
Sources & evidence
- ORD record
- ord-ad3ca81dac9a4d18a5cef1ac5abf54d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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