Hydrochloric Acid → Hydrochloric Acid

HRID 186228

Reaction equation

HRID 186228 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:36](=[O:37])[O:38][CH3:39])[c:24]([O:27][CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:25]3[Br:26])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:47][OH:48].[ClH:46]>>[ClH:46].[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:36](=[O:37])[O:38][CH3:39])[c:24]([O:27][CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[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 17759545HCID 17759545, compound

Product 2

HCID 313Hydrochloric AcidHCID 17758124Methyl 4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate

Sources & evidence

ORD record
ord-52b14a8b19bc4713920398d110029c50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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