Hydrochloric Acid → 3-(Cyclopropyl(2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)propanenitrile

HRID 194551Notes

Reaction equation

HRID 194551 reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][N:5]([c:6]1[c:7]2[c:8]([n:9][c:10]([NH:12][c:13]3[cH:14][cH:15][c:16](-[n:19]4[c:20]([CH3:24])[n:21][cH:22][cH:23]4)[cH:17][cH:18]3)[n:11]1)[CH2:25][CH2:26][N:27]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:28]2)[CH:36]1[CH2:37][CH2:38]1.[CH3:40][OH:41].[ClH:39]>>[C:1](#[N:2])[CH2:3][CH2:4][N:5]([c:6]1[c:7]2[c:8]([n:9][c:10]([NH:12][c:13]3[cH:14][cH:15][c:16](-[n:19]4[c:20]([CH3:24])[n:21][cH:22][cH:23]4)[cH:17][cH:18]3)[n:11]1)[CH2:25][CH2:26][NH:27][CH2:28]2)[CH:36]1[CH2:37][CH2:38]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 59333699tert-Butyl 4-((2-cyanoethyl)(cyclopropyl)amino)-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

Product 1

HCID 593337983-(Cyclopropyl(2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)propanenitrile

Sources & evidence

ORD record
ord-298b739106ea4c65af0b52754ac67742
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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