Neopentyl glycol → tert-Butyl 2-(3-hydroxy-2,2-dimethylpropoxymethyl)-6-methylbenzoate

HRID 194201

반응식

HRID 194201 반응식
[Br:1][CH2:2][c:3]1[c:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]([CH3:16])[cH:13][cH:14][cH:15]1.[CH3:17][C:18]([CH2:19][OH:20])([CH2:21][OH:22])[CH3:23].[OH:24][CH2:25][CH2:26][CH2:27][O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][c:34]([CH3:35])[c:36]1[C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43]>>[CH2:2]([c:3]1[c:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]([CH3:16])[cH:13][cH:14][cH:15]1)[O:22][CH2:21][C:18]([CH3:17])([CH2:19][OH:20])[CH3:23]

참가 물질

4

반응물 3

HCID 31344Neopentyl glycolHCID 59341259Tert-butyl 2-(3-hydroxypropoxymethyl)-6-methylbenzoateHCID 59341261tert-Butyl 2-(bromomethyl)-6-methylbenzoate

생성물 1

HCID 59341262tert-Butyl 2-(3-hydroxy-2,2-dimethylpropoxymethyl)-6-methylbenzoate

출처 및 근거

ORD 기록
ord-3d1c444195294ee7a2c1c58e28036460
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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