Hydrochloric Acid → Methyl 4-[4-(2-adamantylcarbamoyl)-5-propylsulfanyl-pyrazol-1-yl]benzoate

HRID 204011Notes

Reaction equation

HRID 204011 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:21])[OH:22])[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1.[CH3:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:24]12[CH:25]([NH2:34])[CH:26]3[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]1)[CH2:32]3)[CH2:33]2.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[ClH:23].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:22])[NH:34][CH:25]3[CH:24]4[CH2:31][CH:30]5[CH2:29][CH:28]([CH2:27][CH:26]3[CH2:32]5)[CH2:33]4)[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 253322-AminoadamantaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 595161221-(4-Methoxycarbonylphenyl)-5-propylsulfanyl-pyrazole-4-carboxylic acid

Product 1

HCID 53630271Methyl 4-[4-(2-adamantylcarbamoyl)-5-propylsulfanyl-pyrazol-1-yl]benzoate

Sources & evidence

ORD record
ord-2f44e7049a594ca7a0acec5394fb4bb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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