HRID116121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID84140

4-Bromo-2-butenoic acid

C4H5BrO2

HCID5328042

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

C14H11BrN4

PRODUCTS

生成物

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

HCID54413123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d498e16f06460e936180ac2c93a8b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([NH:21][c:22]2[n:23][cH:24][n:25][c:26]3[cH:27][cH:28][c:29]([NH2:32])[cH:30][c:31]23)[cH:18][cH:19][cH:20]1.[Br:7][CH2:8][CH:9]=[CH:10][C:11](=[O:12])[OH:13].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:42][CH2:43][Cl:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:50]>>[Br:7][CH2:8][CH:9]=[CH:10][C:11](=[O:13])[NH:32][c:29]1[cH:28][cH:27][c:26]2[n:25][cH:24][n:23][c:22]([NH:21][c:17]3[cH:16][c:15]([Br:14])[cH:20][cH:19][cH:18]3)[c:31]2[cH:30]1