Chloride → 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(4-[1,2,4]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester

HRID 287334

Reaction equation

HRID 287334 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:22]#[C:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:8][c:9]1[NH:10][CH:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][cH:19][n:20][cH:21]2)[CH2:15][CH2:16]1.[CH3:29][CH:30]1[CH2:31][CH2:32][CH:33]([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]1.[Cl-:28]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:22]#[C:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][cH:19][n:20][cH:21]2)[CH2:15][CH2:16]1)[C:36]([CH:33]1[CH2:32][CH2:31][CH:30]([CH3:29])[CH2:35][CH2:34]1)=[O:37]

Participants

4

Reactant 3

HCID 312ChlorideHCID 203304-Methylcyclohexanecarboxylic acidHCID 249889815-(3,3-Dimethyl-but-1-ynyl)-3-(4-[1,2,4]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 598591665-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(4-[1,2,4]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-55040d858d194814af4a19569b6e7fc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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