HRID2328405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2734805

5-Bromo-o-toluidine

C7H8BrN

结构：O=C(Cl)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662936

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Br)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6edb51369f7b4c84a667bbd510256a0d
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

[Br:36][c:37]1[cH:38][cH:39][c:40]([CH3:44])[c:41]([NH2:42])[cH:43]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[c:1]1(-[c:7]2[n:8][c:9]([NH:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[Cl:24])[cH:25][cH:26]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[NH:42][c:41]4[c:40]([CH3:44])[cH:39][cH:38][c:37]([Br:36])[cH:43]4)[cH:25][cH:26]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1