Hydrochloric Acid → Hydrochloric Acid

HRID 1570032Notes

Reaction equation

HRID 1570032 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[s:22][c:23]([C:34](=[O:35])[O:36][CH3:37])[c:24]([O:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:25]3[Br:26])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][OH:46].[ClH:38]>>[ClH:38].[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[s:22][c:23]([C:34](=[O:35])[O:36][CH3:37])[c:24]([O:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:25]3[Br:26])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 8857Ethyl AcetateHCID 68835642Tert-butyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]anilino]piperidine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 17758010Methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate

Sources & evidence

ORD record
ord-5e1fd332aa3846c1b14acbf5661f0fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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