HRID1151095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID222288

未命名化合物

HCID5328042

N4-(3-Bromophenyl)quinazoline-4,6-diamine

C14H11BrN4

结构：CN(C)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1

HCID68562749

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

HCID49826478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af1e358e37464f759aaa1503ce54fe03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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