5-Iodo-2,3-dihydro-1-benzofuran → 7-(2,3-Dihydro-benzofuran-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][cH:19][c:20]2[c:21]([cH:25]1)[CH2:22][CH2:23][O:24]2>>[C:1](#[C:2][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:25]1)[CH2:22][CH2:23][O:24]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 27361335-Iodo-2,3-dihydro-1-benzofuran

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

생성물 1

HCID 692913117-(2,3-Dihydro-benzofuran-5-ylethynyl)-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

출처 및 근거

ORD 기록: ord-2391ac39b973433e9110cf2041b8a4bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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