HCID 67238117, 화합물 → 5-[2-(6-Methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

반응식

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH:11]1[CH2:12][CH2:13][CH2:14][N:15]([CH2:16]3)[CH2:17]1.[CH3:18][c:19]1[n:20][cH:21][c:22]([CH:25]=[CH:26][B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:23][cH:24]1>>[c:2]1([CH:26]=[CH:25][c:22]2[cH:21][n:20][c:19]([CH3:18])[cH:24][cH:23]2)[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH:11]1[CH2:12][CH2:13][CH2:14][N:15]([CH2:16]3)[CH2:17]1

참가 물질

반응물 2

HCID 67238117HCID 67238117, 화합물

HCID 672413635-Bromo-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

생성물 1

HCID 672404735-[2-(6-Methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

출처 및 근거

ORD 기록: ord-5e5d9516736c4059aff087fcc1ab4ba3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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