HRID2318378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID77531

2,4-Dichloropyrimidine

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1N

HCID22594118

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1ccnc(Cl)n1

HCID22594095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4691aa22d914a4d9012015d44315ad4
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

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