Dichloromethane → 3-Chloro-4-fluoro-benzo[b]thiophene-2-carboxylic acid (4-amino-cyclohexyl)-(2-methoxy-5-pyridin-3-yl-benzyl)-amide

HRID 125246Notes

Reaction equation

HRID 125246 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH2:15][c:16]2[c:17]([O:28][CH3:29])[cH:18][cH:19][c:20](-[c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[cH:21]2)[C:30](=[O:31])[c:32]2[c:33]([Cl:42])[c:34]3[c:35]([s:36]2)[cH:37][cH:38][cH:39][c:40]3[F:41])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:43].[CH2:51]([Cl:52])[Cl:53].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH2:15][c:16]2[c:17]([O:28][CH3:29])[cH:18][cH:19][c:20](-[c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[cH:21]2)[C:30](=[O:31])[c:32]2[c:33]([Cl:42])[c:34]3[c:35]([s:36]2)[cH:37][cH:38][cH:39][c:40]3[F:41])[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59775680{4-[(3-Chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-(2-methoxy-5-pyridin-3-yl-benzyl)-amino]-cyclohexyl}-carbamic acid tert-butyl ester

Product 1

HCID 597669223-Chloro-4-fluoro-benzo[b]thiophene-2-carboxylic acid (4-amino-cyclohexyl)-(2-methoxy-5-pyridin-3-yl-benzyl)-amide

Sources & evidence

ORD record
ord-b491118bb1eb4965b119aaff7424f3cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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