Hydrochloric Acid → 2-((2-Chlorophenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

HRID 1115173Notes

Reaction equation

HRID 1115173 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:28]2)-[c:15]2[c:16]([cH:20][c:21]([C:24](=[O:25])[O:26][CH3:27])[cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:29])[cH:4][cH:5][cH:6][cH:7]1.[ClH:32].[Li+:31].[OH-:30].[OH2:38]>>[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:28]2)-[c:15]2[c:16]([cH:20][c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:29])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 442423632-[(2-Chloro-phenyl)-methyl-carbamoyl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-8-carboxylic acid methyl ester

Product 1

HCID 568340542-((2-Chlorophenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

Sources & evidence

ORD record
ord-97ffea60eaf44603b80ef4b0a83492c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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