Hydrochloric Acid → 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]benzamide

HRID 197413Notes

Reaction equation

HRID 197413 reaction equation
[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:30][O:31][c:32]2[cH:33][c:34]([NH2:37])[nH:35][n:36]2)[cH:25][c:26]([O:28][CH3:29])[cH:27]1.[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:38].[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5][CH2:6]1)[CH2:7][N:8]([c:10]1[cH:11][cH:12][c:13]([C:14]([O:16][CH3:15])=[O:17])[cH:18][cH:19]1)[CH2:9]2>>[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5][CH2:6]1)[CH2:7][N:8]([c:10]1[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:37][c:34]3[cH:33][c:32]([O:31][CH2:30][c:24]4[cH:23][c:22]([O:21][CH3:20])[cH:27][c:26]([O:28][CH3:29])[cH:25]4)[n:36][nH:35]3)[cH:18][cH:19]1)[CH2:9]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 16682925TrimethylaluminumHCID 574403815-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-amineHCID 66589763Methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)benzoate

Product 1

HCID 665897144-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]benzamide

Sources & evidence

ORD record
ord-2d58b2463fc34d79a2d7223d4d313d71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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