Water → (7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(6-trifluoromethyl-pyridin-3-yl)-amine

HRID 189620Notes

Reaction equation

HRID 189620 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([Cl:18])[c:15]2[CH2:16][CH2:17]1.[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][n:26]1)([F:28])[F:29].[IH:30].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:27][c:24]3[cH:23][cH:22][c:21]([C:20]([F:19])([F:28])[F:29])[n:26][cH:25]3)[c:15]2[CH2:16][CH2:17]1

Participants

6

Reactant 5

HCID 962WaterHCID 24841Hydrogen iodideHCID 312751,4-DioxaneHCID 27377445-Amino-2-(trifluoromethyl)pyridineHCID 219588387-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Product 1

HCID 11292071(7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(6-trifluoromethyl-pyridin-3-yl)-amine

Sources & evidence

ORD record
ord-f114c49704de4a79848b014d1f8afc61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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