Sodium ion → HCID 18975254, compound

HRID 178990

Reaction equation

HRID 178990 reaction equation
[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[F:11][c:12]1[c:13]([C:19]([CH:20]([CH3:21])[n:22]2[cH:23][n:24][c:25]3[cH:26][c:27]([F:33])[cH:28][cH:29][c:30]3[c:31]2=[O:32])([CH2:34][n:35]2[n:36][cH:37][n:38][cH:39]2)[OH:40])[cH:14][cH:15][c:16]([F:18])[cH:17]1.[F:1][C:2]([CH2:3][OH:4])([CH:5]([F:6])[F:7])[F:8].[H-:10].[Na+:9].[OH2:41]>>[F:1][C:2]([CH2:3][O:4][c:27]1[cH:26][c:25]2[n:24][cH:23][n:22]([CH:20]([C:19]([c:13]3[c:12]([F:11])[cH:17][c:16]([F:18])[cH:15][cH:14]3)([CH2:34][n:35]3[n:36][cH:37][n:38][cH:39]3)[OH:40])[CH3:21])[c:31](=[O:32])[c:30]2[cH:29][cH:28]1)([CH:5]([F:6])[F:7])[F:8]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 64412,2,3,3-Tetrafluoro-1-propanolHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 189752013-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-fluoroquinazolin-4-one

Product 1

HCID 18975254HCID 18975254, compound

Sources & evidence

ORD record
ord-6845a0142e2647c0b4b33cb43164b38a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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