Methanol → 2-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide

HRID 1562680Notes

Reaction equation

HRID 1562680 reaction equation
[CH3:42][C:43]#[N:44].[CH3:45][OH:46].[CH:34]([N:35]([CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4]([Cl:24])[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2.[Cl:47][CH2:48][Cl:49].[NH2:25][CH:26]([C:27](=[O:28])[NH2:29])[CH2:30][CH:31]([CH3:32])[CH3:33].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[Cl:1][c:2]1[n:3][c:4]([NH:25][CH:26]([C:27](=[O:28])[NH2:29])[CH2:30][CH:31]([CH3:32])[CH3:33])[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 114616Pentanamide, 2-amino-4-methyl-HCID 547370N,N-DiisopropylmethylamineHCID 583175754,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one

Product 1

HCID 767591382-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide

Sources & evidence

ORD record
ord-f19ace2b6a58449f9682a1d4a6c5da2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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