p-Bromoacetophenone → tert-Butyl {4-[(4'-acetyl-4-ethoxy-biphenyl-3-ylmethyl)-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

HRID 1572509Notes

Reaction equation

HRID 1572509 reaction equation
[BH:1]([OH:2])[OH:3].[Br:42][c:43]1[cH:44][cH:45][c:46]([C:49]([CH3:50])=[O:51])[cH:47][cH:48]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[O:38][CH2:39][CH3:40])[CH2:16][CH2:17]1)[CH3:41]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][c:34](-[c:43]3[cH:44][cH:45][c:46]([C:49]([CH3:50])=[O:51])[cH:47][cH:48]3)[cH:35][cH:36][c:37]2[O:38][CH2:39][CH3:40])[CH2:16][CH2:17]1)[CH3:41]

Participants

4

Reactant 3

HCID 7466p-BromoacetophenoneHCID 61668Boronic AcidHCID 69165406tert-butyl N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[(2-ethoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

Product 1

HCID 59683640tert-Butyl {4-[(4'-acetyl-4-ethoxy-biphenyl-3-ylmethyl)-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

Sources & evidence

ORD record
ord-ce467e5d57a34e148f149c5f41fd0389
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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