HRID1202711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16183

2,6-Dichlorobenzamide

C7H5Cl2NO

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID12795610

5-(4-Bromophenyl)-6-methyl-2-pyrazinamine

C11H10BrN3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1nc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cnc1-c1ccc(Br)cc1

HCID151566

EL 494

C19H13BrCl2N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef727e50e1e74459b6499082d8de42e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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