3-Chlorobenzo(b)thiophene-2-carbonyl chloride → (4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(formyl-methyl-amino)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

HRID 194800

Reaction equation

HRID 194800 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([N:30]([CH3:31])[CH:32]=[O:33])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[CH2:13][CH2:14]1)=[O:34].[Cl:35][c:36]1[c:37]2[c:38]([s:39][c:40]1[C:41](=[O:42])[Cl:43])[cH:44][cH:45][cH:46][cH:47]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([N:15]([CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([N:30]([CH3:31])[CH:32]=[O:33])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[C:41]([c:40]2[c:36]([Cl:35])[c:37]3[c:38]([s:39]2)[cH:44][cH:45][cH:46][cH:47]3)=[O:42])[CH2:13][CH2:14]1)=[O:34]

Participants

3

Reactant 2

HCID 5198983-Chlorobenzo(b)thiophene-2-carbonyl chlorideHCID 59766952(4-{[4-Fluoro-4'-(formyl-methyl-amino)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

Product 1

HCID 59766950(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(formyl-methyl-amino)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-573506d7c0d644fd88474bcc59a48ab8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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