Acetic Acid → [[3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]-5,6-dihydro-4H-1-benzothiophen-7-ylidene]amino] N,N-dimethylcarbamate

HRID 284217Notes

Reaction equation

HRID 284217 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[ClH:26].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]3[c:16]([s:17][cH:18]2)[C:19](=[O:23])[CH2:20][CH2:21][CH2:22]3)[CH3:24])[OH:25])[cH:6][cH:7]1.[NH2:27][O:28][C:29](=[O:30])[N:31]([CH3:32])[CH3:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]3[c:16]([s:17][cH:18]2)[C:19](=[N:27][O:28][C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[CH2:20][CH2:21][CH2:22]3)[CH3:24])[OH:25])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 21098722amino N,N-dimethylcarbamateHCID 77617953HCID 77617953, compound

Product 1

HCID 72958777[[3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]-5,6-dihydro-4H-1-benzothiophen-7-ylidene]amino] N,N-dimethylcarbamate

Sources & evidence

ORD record
ord-09feb35b4eec4981b00771a576a3a683
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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