Epichlorohydrin → 1-chloro-3-(3-phenyl-3,4-dihydro-2H-1-benzopyrane-7-yloxy)-2-propanol

반응식

[CH2:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[Cl:24][CH2:25][CH:26]1[CH2:27][O:28]1.[c:1]1([CH:7]2[CH2:8][O:9][c:10]3[c:11]([cH:13][cH:14][c:15]([OH:17])[cH:16]3)[CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][O:9][c:10]3[c:11]([cH:13][cH:14][c:15]([O:17][CH2:27][CH:26]([CH2:25][Cl:24])[OH:28])[cH:16]3)[CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 7835Epichlorohydrin

HCID 8082Piperidine

HCID 204967613-Phenylchroman-7-ol

생성물 1

HCID 204967161-chloro-3-(3-phenyl-3,4-dihydro-2H-1-benzopyrane-7-yloxy)-2-propanol

출처 및 근거

ORD 기록: ord-631ea02d409a4ab0920bada6bbb41c4e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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