Acetonitrile → 6-Benzyloxy-3-{2-oxo-2-[2-(2,2,2-trifluoro-acetyl)-1,2,3,4-tetrahydro-isoquinolin-7-yl]-ethyl}-3H-pyrimidin-4-one

HRID 105937Notes

Reaction equation

HRID 105937 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][n:6]([CH2:7][C:8]([c:9]2[cH:10][cH:11][c:12]([CH2:13][OH:14])[cH:15][cH:16]2)=[O:17])[c:18](=[O:19])[cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[cH:36][c:37](=[O:41])[nH:38][cH:39][n:40]1.[CH3:62][C:63]#[N:64].[Cl:42][CH2:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49]2[c:54]([cH:55]1)[CH2:53][N:52]([C:56]([C:57]([F:58])([F:59])[F:60])=[O:61])[CH2:51][CH2:50]2>>[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[cH:36][c:37](=[O:41])[n:38]([CH2:43][C:44](=[O:45])[c:46]2[cH:47][cH:48][c:49]3[c:54]([cH:55]2)[CH2:53][N:52]([C:56]([C:57]([F:58])([F:59])[F:60])=[O:61])[CH2:51][CH2:50]3)[cH:39][n:40]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 210901216-benzyloxy-3H-pyrimidin-4-oneHCID 670068424-Benzyloxy-1-[2-(4-hydroxymethyl-phenyl)-2-oxo-ethyl]-1H-pyridin-2-oneHCID 866236881-[7-(2-chloro-acetyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoro-ethanone

Product 1

HCID 866236956-Benzyloxy-3-{2-oxo-2-[2-(2,2,2-trifluoro-acetyl)-1,2,3,4-tetrahydro-isoquinolin-7-yl]-ethyl}-3H-pyrimidin-4-one

Sources & evidence

ORD record
ord-59bc57dde7e74dbc92213386b77fcb16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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