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

HRID 1128980Notes

Reaction equation

HRID 1128980 reaction equation
[BH:1]([OH:2])[OH:3].[Br:41][c:42]1[cH:43][cH:44][c:45]([N:48]([C:49]([CH3:50])=[O:51])[CH3:52])[cH:46][cH:47]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][CH3:39])[CH2:16][CH2:17]1)[CH3:40]>>[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:42]3[cH:43][cH:44][c:45]([N:48]([C:49]([CH3:50])=[O:51])[CH3:52])[cH:46][cH:47]3)[cH:35][cH:36][c:37]2[O:38][CH3:39])[CH2:16][CH2:17]1)[CH3:40]

Participants

4

Reactant 3

HCID 61668Boronic AcidHCID 4324567N-(4-bromophenyl)-N-methylacetamideHCID 69165908tert-butyl N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[(2-methoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

Product 1

HCID 59683645tert-Butyl {4-[[4'-(acetyl-methyl-amino)-4-methoxy-biphenyl-3-ylmethyl]-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

Sources & evidence

ORD record
ord-c9d1a367ca6644129580a8f4b4685f46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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