Boronic Acid → tert-Butyl {4-[[5-(6-amino-pyridin-3-yl)-2-methoxy-benzyl]-(3-chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

HRID 108628Notes

Reaction equation

HRID 108628 reaction equation
[BH:1]([OH:2])[OH:3].[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].[NH2:43][c:44]1[n:45][cH:46][c:47]([Br:50])[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][c:36](-[c:47]3[cH:46][n:45][c:44]([NH2:43])[cH:49][cH:48]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 706222-Amino-5-bromopyridineHCID 69230022tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[(2-methoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

Product 1

HCID 59683462tert-Butyl {4-[[5-(6-amino-pyridin-3-yl)-2-methoxy-benzyl]-(3-chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

Sources & evidence

ORD record
ord-20df1d394b394a61bfb964778f06850e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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