Dichloromethane → 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-4-methoxybutanamide

HRID 1234839Notes

Reaction equation

HRID 1234839 reaction equation
[CH3:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH3:33].[CH3:34][C:35]1([CH3:47])[O:36][CH2:37][CH:38]([CH2:40][n:41]2[n:42][c:43]([NH2:46])[cH:44][cH:45]2)[O:39]1.[Cl:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:18])[N:8]([CH:10]([C:11](=[O:12])[OH:13])[CH2:14][CH2:15][O:16][CH3:17])[CH2:9]2)[cH:19][cH:20][cH:21][cH:22]1.[Cl:48][CH2:49][Cl:50]>>[Cl:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:18])[N:8]([CH:10]([C:11](=[O:13])[NH:46][c:43]3[n:42][n:41]([CH2:40][CH:38]4[CH2:37][O:36][C:35]([CH3:34])([CH3:47])[O:39]4)[cH:45][cH:44]3)[CH2:14][CH2:15][O:16][CH3:17])[CH2:9]2)[cH:19][cH:20][cH:21][cH:22]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 579191601-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamineHCID 675045812-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methoxybutanoic acid

Product 1

HCID 675040442-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-4-methoxybutanamide

Sources & evidence

ORD record
ord-0381b40f241a458b976dbbcb37031a7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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