HRID2345527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1csc(NC(=O)C(Cc2ccccc2)NC(=O)C(N)c2ccc(OC)c(C)c2)n1

HCID87580044

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccc(OC)c(C)c3)C2=O)n1

HCID76839225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c37179a9a1a4b5fb91f154b4da29699
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21]([CH:22]([c:23]2[cH:24][c:25]([CH3:31])[c:26]([O:29][CH3:30])[cH:27][cH:28]2)[NH2:32])=[O:33])=[O:34])[s:8][cH:9]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:53][CH2:54][Cl:55].[O:44]=[C:45]([Cl:46])[O:47][C:48]([Cl:49])([Cl:50])[Cl:51].[OH2:52]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[N:20]2[C:21](=[O:33])[CH:22]([c:23]3[cH:24][c:25]([CH3:31])[c:26]([O:29][CH3:30])[cH:27][cH:28]3)[NH:32][C:45]2=[O:44])=[O:34])[s:8][cH:9]1