Sodium ion → [3-(4-Chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol

HRID 1126478Notes

Reaction equation

HRID 1126478 reaction equation
[BH4-:37].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]2[C:13](=[O:14])[OH:15])[cH:6][cH:7]1.[Cl:31][C:32]([O:33][CH2:34][CH3:35])=[O:36].[Na+:38].[Na+:40].[OH-:39].[OH2:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]2[CH2:13][OH:14])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 28123BorohydrideHCID 666437553-(4-Chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazole-4-carboxylic acid

Product 1

HCID 66643815[3-(4-Chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol

Sources & evidence

ORD record
ord-80d1e912f62945f2a29fb9b32ecdb46a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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