HRID178082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2763209

2-Bromo-4-thiazolecarboxylic acid

C4H2BrNO2S

HCID67130164

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCN(c2ccncc2NC(=O)c2csc(Br)n2)C1

HCID67501061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-595ec4d2e5234d05b1f34928114088c1
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:22][c:23]1[s:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[n:27]1.[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH:10]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:11][CH2:12][CH2:13]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH:10]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:11][CH2:12][CH2:13]1)[C:28]([c:26]1[cH:25][s:24][c:23]([Br:22])[n:27]1)=[O:29]