4-Butylphenylboronic acid → HCID 68583018, compound
Reaction equation
[CH2:34]([CH2:35][CH2:36][CH3:37])[c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1.[CH3:1][O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][c:8](-[n:12]2[c:13]([CH2:25][c:26]3[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[n:14][c:15](-[c:17]3[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:16]2)[cH:9][cH:10][cH:11]1)=[O:33]>>[CH3:1][O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][c:8](-[n:12]2[c:13]([CH2:25][c:26]3[cH:27][cH:28][c:29](-[c:41]4[cH:40][cH:39][c:38]([CH2:34][CH2:35][CH2:36][CH3:37])[cH:43][cH:42]4)[cH:30][cH:31]3)[n:14][c:15](-[c:17]3[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:16]2)[cH:9][cH:10][cH:11]1)=[O:33]Participants
3
Sources & evidence
- ORD record
- ord-0e1a695f6c3544b3b18f381d02987abc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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