3,4-Dichlorobenzeneboronic acid → Tert-butyl 7-(3,4-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate

반응식

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

참가 물질

반응물 2

HCID 27343303,4-Dichlorobenzeneboronic acid

HCID 10046076Tert-butyl 7-bromo-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate

생성물 1

HCID 10027218Tert-butyl 7-(3,4-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate

출처 및 근거

ORD 기록: ord-babf21d7ccd24dabb734301316177a1a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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