HRID2158930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID69475

2-Propynoic acid, 3-phenyl-

C9H6O2

HCID5328042

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

C14H11BrN4

PRODUCTS

生成物

结构：O=C(C#Cc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

HCID9846227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baf4db2326dc43cf854f21e0f1f4e6d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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