Hydrochloric Acid → Methyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]anilino]piperidine-1-carboxylate

HRID 121647Notes

Reaction equation

HRID 121647 reaction equation
[CH3:2][O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:19]2[cH:20][c:21]([NH:25][CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:22][cH:23][cH:24]2)[c:9]([Br:18])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17].[Cl:32][C:33](=[O:34])[O:35][CH3:36].[ClH:1].[ClH:37].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH3:2][O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:19]2[cH:20][c:21]([NH:25][CH:26]3[CH2:27][CH2:28][N:29]([C:33](=[O:34])[O:35][CH3:36])[CH2:30][CH2:31]3)[cH:22][cH:23][cH:24]2)[c:9]([Br:18])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17]

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 1049PyridineHCID 6586Methyl chloroformateHCID 17758010Methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate

Product 1

HCID 17759546Methyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]anilino]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-cd7d54d7f89949e793b8ec5132227a4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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