Dichloromethane → 4-Chloro-benzo[b]thiophene-2-carboxylic acid (6-piperazin-1-yl-pyridin-3-yl)-amide

HRID 321738Notes

Reaction equation

HRID 321738 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]4[c:26]([s:27]3)[cH:28][cH:29][cH:30][c:31]4[Cl:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:33][CH2:34][Cl:35].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]4[c:26]([s:27]3)[cH:28][cH:29][cH:30][c:31]4[Cl:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 462239524-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 593651784-Chloro-benzo[b]thiophene-2-carboxylic acid (6-piperazin-1-yl-pyridin-3-yl)-amide

Sources & evidence

ORD record
ord-47e739d25ff24b49b9b1ad6a75513165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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