1-Butanol → 8-ethyl-2-methyl-N-[3-(trifluoromethyl)-phenyl]-8H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]-pyrimidin-5-amine

HRID 679488Notes

Reaction equation

HRID 679488 reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]3[c:7]1[cH:8][n:9][c:10]1[c:11]3[cH:12][n:13][n:14]1[CH2:15][CH3:16])[n:17][c:18]([CH3:20])[cH:19]2.[F:28][C:29]([c:30]1[cH:31][c:32]([NH2:33])[cH:34][cH:35][cH:36]1)([F:37])[F:38]>>[c:2]1([NH:33][c:32]2[cH:31][c:30]([C:29]([F:28])([F:37])[F:38])[cH:36][cH:35][cH:34]2)[n:3][c:4]2[n:5]([c:6]3[c:7]1[cH:8][n:9][c:10]1[c:11]3[cH:12][n:13][n:14]1[CH2:15][CH3:16])[n:17][c:18]([CH3:20])[cH:19]2

Participants

5

Reactant 4

HCID 2631-ButanolHCID 73753-(Trifluoromethyl)anilineHCID 8471TriethylamineHCID 537035595-chloro-8-ethyl-2-methyl-8H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]pyrimidine

Product 1

HCID 233316038-ethyl-2-methyl-N-[3-(trifluoromethyl)-phenyl]-8H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]-pyrimidin-5-amine

Sources & evidence

ORD record
ord-83f7ca298c80446d8db2d5eee06b85e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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