Methyl chloroformate → 1H-Pyrazole-4-carboxylic acid, 3-(4-chlorophenyl)-1-(((4-chlorophenyl)amino)carbonyl)-4,5-dihydro-4-methyl-, methyl ester

HRID 1129294Notes

Reaction equation

HRID 1129294 reaction equation
[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH:24]([NH:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[N:12]=[C:13]([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH:14]([CH3:16])[CH2:15]2)[cH:6][cH:7]1.[Cl:36][C:37](=[O:38])[O:39][CH3:40].[Li:31][CH2:32][CH2:33][CH2:34][CH3:35].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[N:12]=[C:13]([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:14]([CH3:16])([C:37](=[O:38])[O:39][CH3:40])[CH2:15]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6586Methyl chloroformateHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 13752557N,3-bis-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamideHCID 178418339Butyllithium

Product 1

HCID 1758551H-Pyrazole-4-carboxylic acid, 3-(4-chlorophenyl)-1-(((4-chlorophenyl)amino)carbonyl)-4,5-dihydro-4-methyl-, methyl ester

Sources & evidence

ORD record
ord-ab8d8a7555f44f58ac79e77649c9a9e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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