HRID204480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID64783

Pseudosaccharin chloride

C7H4ClNO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CN)cc1

HCID21936684

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CNC2=NS(=O)(=O)c3ccccc32)cc1

HCID178490771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a457cf10b16472b9815f4615fe8feb9
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

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