HRID1202114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16658

N-Aminopiperidine

C5H12N2

结构：CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1

HCID22565357

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(=O)NN2CCCCC2)c1

HCID21955075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-384695dc7b2e43fb9b61a8b3816cef8c
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

[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[C:13]([c:14]3[cH:15][c:16]([C:20](=[O:21])[O:22][c:23]4[c:24]([F:25])[c:26]([F:27])[c:28]([F:29])[c:30]([F:31])[c:32]4[F:33])[cH:17][cH:18][cH:19]3)[S:34](=[O:35])(=[O:36])[CH3:37])[CH2:12]2)[c:38]2[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[cH:6][cH:7]1.[NH2:45][N:46]1[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[C:13]([c:14]3[cH:15][c:16]([C:20](=[O:21])[NH:45][N:46]4[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]4)[cH:17][cH:18][cH:19]3)[S:34](=[O:35])(=[O:36])[CH3:37])[CH2:12]2)[c:38]2[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[cH:6][cH:7]1