Ethanol → 4-(1-{2-hydroxy-3-[4-pyrazin-2-yl-3-(4-trifluoromethyl-phenyl)-pyrazol-1-yl]-propyl}-piperidin-4-yl)-4H-benzo[1,4]oxazin-3-one

HRID 1558137Notes

Reaction equation

HRID 1558137 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][OH:52].[NH:26]1[CH2:27][CH2:28][CH:29]([N:32]2[C:33](=[O:42])[CH2:34][O:35][c:36]3[c:37]2[cH:38][cH:39][cH:40][cH:41]3)[CH2:30][CH2:31]1.[O:1]1[CH:2]([CH2:4][n:5]2[n:6][c:7](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[c:8](-[c:10]3[n:11][cH:12][cH:13][n:14][cH:15]3)[cH:9]2)[CH2:3]1>>[OH:1][CH:2]([CH2:3][N:26]1[CH2:27][CH2:28][CH:29]([N:32]2[C:33](=[O:42])[CH2:34][O:35][c:36]3[c:37]2[cH:38][cH:39][cH:40][cH:41]3)[CH2:30][CH2:31]1)[CH2:4][n:5]1[n:6][c:7](-[c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[c:8](-[c:10]2[n:11][cH:12][cH:13][n:14][cH:15]2)[cH:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 222936232-[1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1H-pyrazol-4-yl]-pyrazineHCID 222938102H-1,4-Benzoxazin-3(4H)-one, 4-(4-piperidinyl)-

Product 1

HCID 101209344-(1-{2-hydroxy-3-[4-pyrazin-2-yl-3-(4-trifluoromethyl-phenyl)-pyrazol-1-yl]-propyl}-piperidin-4-yl)-4H-benzo[1,4]oxazin-3-one

Sources & evidence

ORD record
ord-1235191362934daf853454da9a76ab1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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