Water → 10a-(4-chlorophenyl)-7-methyl-5-oxo-N-(2-phenylethyl)-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrazolo[1,5-d]pyrazine-1-carboxamide

HRID 136188

Reaction equation

HRID 136188 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]23[N:9]([C:10](=[O:18])[c:11]4[n:12]([n:14][c:15]([CH3:17])[cH:16]4)[CH2:13]2)[CH2:19][CH2:20][NH:21]3)[cH:6][cH:7]1.[Cl:40][CH2:41][Cl:42].[O:22]=[C:23]=[N:24][CH2:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH2:33].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]23[N:9]([C:10](=[O:18])[c:11]4[n:12]([n:14][c:15]([CH3:17])[cH:16]4)[CH2:13]2)[CH2:19][CH2:20][N:21]3[C:23](=[O:22])[NH:24][CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 160602Phenethyl isocyanateHCID 5840634610a-(4-chlorophenyl)-7-methyl-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrazolo[1,5-d]pyrazin-5-one

Product 1

HCID 5337264310a-(4-chlorophenyl)-7-methyl-5-oxo-N-(2-phenylethyl)-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrazolo[1,5-d]pyrazine-1-carboxamide

Sources & evidence

ORD record
ord-f0f22142a48443979597147de5382606
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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