2-Bromoethyl methyl ether → 7-[4-(2-Methoxy-ethoxy)-phenylethynyl]-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

반응식

[CH3:1][C:2]1([CH3:22])[CH2:3][O:4][c:5]2[c:6]([cH:9][cH:10][c:11]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]3)[cH:12]2)[O:7][CH2:8]1.[CH3:23][O:24][CH2:25][CH2:26][Br:27]>>[CH3:1][C:2]1([CH3:22])[CH2:3][O:4][c:5]2[c:6]([cH:9][cH:10][c:11]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH2:26][CH2:25][O:24][CH3:23])[cH:19][cH:20]3)[cH:12]2)[O:7][CH2:8]1

참가 물질

반응물 2

HCID 809722-Bromoethyl methyl ether

HCID 692924094-(3,3-Dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-ylethynyl)-phenol

생성물 1

HCID 692929737-[4-(2-Methoxy-ethoxy)-phenylethynyl]-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

출처 및 근거

ORD 기록: ord-a387782bfd0d45ff9f4f1fac481e298c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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