Hydrochloric Acid → 3-[(4-Methyl-cyclohexanecarbonyl)-(4-oxo-cyclohexyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

HRID 1207658Notes

Reaction equation

HRID 1207658 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][C:23]2([O:24][CH2:27][CH2:26][O:25]2)[CH2:28][CH2:29]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][C:23](=[O:24])[CH2:28][CH2:29]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 597523833-[(1,4-Dioxa-spiro[4.5]dec-8-yl)-(trans 4-methyl-cyclohexanecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 597523053-[(4-Methyl-cyclohexanecarbonyl)-(4-oxo-cyclohexyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-fd2e146c362047f2883307dbc20f587f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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