Hydrochloric Acid → N-[3-cyano-4-(2,2-dimethyl-3-hydroxypropoxy)phenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

HRID 1133680Notes

Reaction equation

HRID 1133680 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[ClH:13].[NH2:14][c:15]1[cH:16][cH:17][c:18]([O:23][CH2:24][C:25]([CH2:26][OH:27])([CH3:28])[CH3:29])[c:19]([C:20]#[N:21])[cH:22]1.[s:1]1[c:2]2[c:3]([c:4]([C:6](=[O:7])[OH:8])[cH:5]1)[CH2:9][CH2:10][CH2:11][CH2:12]2>>[s:1]1[c:2]2[c:3]([c:4]([C:6](=[O:8])[NH:14][c:15]3[cH:16][cH:17][c:18]([O:23][CH2:24][C:25]([CH2:26][OH:27])([CH3:28])[CH3:29])[c:19]([C:20]#[N:21])[cH:22]3)[cH:5]1)[CH2:9][CH2:10][CH2:11][CH2:12]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 7677384,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acidHCID 219423185-Amino-2-(3-hydroxy-2,2-dimethylpropoxy)benzonitrile

Product 1

HCID 21942378N-[3-cyano-4-(2,2-dimethyl-3-hydroxypropoxy)phenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

Sources & evidence

ORD record
ord-eb1131a821ba4d8dbeaa3eee53ecfa8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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