Hydrochloric Acid → 8-Bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylic acid

HRID 93045

Reaction equation

HRID 93045 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]2[c:14]([n:15]1)-[c:13]1[c:12]([cH:19][c:18]([Br:20])[cH:17][cH:16]1)[O:11][CH2:10][CH2:9]2.[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH3:29][OH:30].[ClH:23].[Na+:22].[OH-:21].[OH2:31]>>[O:3]=[C:4]([OH:5])[c:6]1[s:7][c:8]2[c:14]([n:15]1)-[c:13]1[c:12]([cH:19][c:18]([Br:20])[cH:17][cH:16]1)[O:11][CH2:10][CH2:9]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 57900431Ethyl 8-bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-D]thiazole-2-carboxylate

Product 1

HCID 579001668-Bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylic acid

Sources & evidence

ORD record
ord-140d6ab142614116890c0ca197a0b376
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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