Chloride → 10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-5-oxo-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazine-8-carbonitrile

HRID 178119

Reaction equation

HRID 178119 reaction equation
[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([C:25]23[N:26]([C:27](=[O:36])[c:28]4[n:29]([c:31]([C:34]#[N:35])[cH:32][cH:33]4)[CH2:30]2)[CH2:37][CH2:38][NH:39]3)[cH:23][cH:24]1.[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:15])[OH:16].[Cl-:1].[Cl:2][C:3]([C:4]([Cl:5])=[O:6])=[O:7].[Cl:40][CH2:41][Cl:42].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:16])[N:39]1[C:25]2([c:22]3[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]3)[N:26]([C:27](=[O:36])[c:28]3[n:29]([c:31]([C:34]#[N:35])[cH:32][cH:33]3)[CH2:30]2)[CH2:37][CH2:38]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 45896923-Methyl-1,2-oxazole-4-carboxylic acidHCID 6736752410a-(4-methoxyphenyl)-5-oxo-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]-pyrazine-8-carbonitrile

Product 1

HCID 5337330010a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-5-oxo-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazine-8-carbonitrile

Sources & evidence

ORD record
ord-b53a2f743a894c1fa3f203139fbd400c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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