HRID167401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID81531

Diisopropylethylamine

C8H19N

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccccc3N)n2)cc1

HCID60155703

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccccc3Nc3ccc(OC)nc3)n2)cc1

HCID60155704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eca21540164c43278226a0e81498d392
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B:45].[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][n:41]1.[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:55][CH2:56][Cl:57].[Cu+2:62].[NH2:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([N:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]3)[CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]3)[n:11][c:12]([CH3:14])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[c:3](-[c:8]2[n:9][c:10]([N:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]3)[CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]3)[n:11][c:12]([CH3:14])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1)[c:39]1[cH:38][cH:37][c:36]([O:35][CH3:34])[n:41][cH:40]1