HRID2320109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773330

2-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

结构：CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)c(-c2cnc(N(C)C)cc2C)nc1CC

HCID178467214

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC

HCID22147384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d76441354fd4e25b3c38f3ca5865fc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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