1,2-Dichloroethane → 2-[4-chloro-8-oxo-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

HRID 187663Notes

Reaction equation

HRID 187663 reaction equation
[CH2:57]([Cl:58])[CH2:59][Cl:60].[Cl:3][c:4]1[cH:5][c:6]2[c:7]([c:8]3[cH:9][n:10][nH:11][c:12]13)[CH2:13][N:14]([CH2:23][c:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1)[C:15](=[O:22])[CH:16]([CH2:18][C:19](=[O:20])[OH:21])[CH2:17]2.[ClH:1].[ClH:2].[NH2:30][c:31]1[cH:32][c:33]2[c:44]([cH:45][cH:46]1)[CH2:43][C:35]1([CH2:34]2)[N:36]([CH3:42])[C:37](=[O:41])[NH:38][C:39]1=[O:40].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[Cl:3][c:4]1[cH:5][c:6]2[c:7]([c:8]3[cH:9][n:10][nH:11][c:12]13)[CH2:13][N:14]([CH2:23][c:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1)[C:15](=[O:22])[CH:16]([CH2:18][C:19](=[O:20])[NH:30][c:31]1[cH:32][c:33]3[c:44]([cH:45][cH:46]1)[CH2:43][C:35]1([CH2:34]3)[N:36]([CH3:42])[C:37](=[O:41])[NH:38][C:39]1=[O:40])[CH2:17]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 18440306(-)-5'-Amino-3-methyl-spiro[imidazolidine-4,2'-indane]-2,5-dioneHCID 672023842-[4-Chloro-8-oxo-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acid

Product 1

HCID 907427802-[4-chloro-8-oxo-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

Sources & evidence

ORD record
ord-15fbc668373d4aec90d192b6b86d6a0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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