Boronic Acid → tert-Butyl [4-(3-{[[4-(BOC-methyl-amino)-cyclohexyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-phenyl)-pyridin-2-yl]-carbamate

HRID 196615Notes

Reaction equation

HRID 196615 reaction equation
[BH:1]([OH:2])[OH:3].[Br:43][c:44]1[cH:45][c:46]([NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[n:47][cH:48][cH:49]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:32])[c:23]3[c:24]([s:25]2)[c:26]([F:31])[cH:27][cH:28][c:29]3[F:30])[CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:16][CH2:17]1)[CH3:42]>>[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:32])[c:23]3[c:24]([s:25]2)[c:26]([F:31])[cH:27][cH:28][c:29]3[F:30])[CH2:33][c:34]2[cH:35][c:36](-[c:44]3[cH:45][c:46]([NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[n:47][cH:48][cH:49]3)[cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:16][CH2:17]1)[CH3:42]

Participants

4

Reactant 3

HCID 61668Boronic AcidHCID 11680626tert-butyl N-(4-bromopyridin-2-yl)carbamateHCID 69230022tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[(2-methoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

Product 1

HCID 59683499tert-Butyl [4-(3-{[[4-(BOC-methyl-amino)-cyclohexyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-phenyl)-pyridin-2-yl]-carbamate

Sources & evidence

ORD record
ord-b41f58c4e3954dec8a8c85a86ab47069
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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