1-Ethoxy-4-iodobenzene → 7-(4-Ethoxy-phenylethynyl)-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

반응식

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

참가 물질

반응물 2

HCID 2207001-Ethoxy-4-iodobenzene

HCID 598526957-Ethynyl-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

생성물 1

HCID 113478397-(4-Ethoxy-phenylethynyl)-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

출처 및 근거

ORD 기록: ord-3792b056065e4ed79c9574ca60320073
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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