Dimethylformamide → 4-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 193511Notes

Reaction equation

HRID 193511 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([c:33]2[n:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]2)[CH2:31][CH2:32]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[s:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][c:10]12.[Cl:47][CH2:48][Cl:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[s:7][c:8]([C:11](=[O:13])[NH:39][c:36]3[cH:35][n:34][c:33]([N:30]4[CH2:29][CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]4)[cH:38][cH:37]3)[cH:9][c:10]12

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 38545164-Chlorobenzo(b)thiophene-2-carboxylic AcidHCID 17999304tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate

Product 1

HCID 462239524-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-cd91c97e6bf5451cb80220a9b8b14b5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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