HRID213470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID5251

2,4-Hexadienoic acid

C6H8O2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID5328042

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

C14H11BrN4

PRODUCTS

生成物

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

HCID53794091

N-[4-(3-Bromoanilino)quinazolin-6-yl]hexa-2,4-dienamide

C20H17BrN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f3b7731b7294a818f22dc5eee64b21d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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