1-Iodo-3,4-methylenedioxybenzene → 7-Benzo[1,3]dioxol-5-ylethynyl-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.[I:16][c:17]1[cH:18][c:19]2[c:20]([cH:24][cH:25]1)[O:21][CH2:22][O:23]2>>[C:1](#[C:2][c:17]1[cH:18][c:19]2[c:20]([cH:24][cH:25]1)[O:21][CH2:22][O:23]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

참가 물질

반응물 2

HCID 1386201-Iodo-3,4-methylenedioxybenzene

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

생성물 1

HCID 692924337-Benzo[1,3]dioxol-5-ylethynyl-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

출처 및 근거

ORD 기록: ord-f80eb3c16c63481483a37df9434049b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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