HRID827386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID1783

Capravirine

C20H20Cl2N4O2S

HCID7656

Dibenzylamine

C14H15N

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

结构：CC(C)c1nc(COC(=O)NCN(Cc2ccccc2)Cc2ccccc2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID478201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f74e390928c04deabdbc6b804ebe754b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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