HRID2323807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID80977

4-Chloro-2-phenylquinazoline

C14H9ClN2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21

HCID11601736

未命名化合物

PRODUCTS

生成物

结构：CCn1c(-c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)c(C#N)c2ccc(OC)cc21

HCID59426459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fbe428a2f7844b0b042b081bfbad07e
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

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