HRID2129952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1csc(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c2ccc(SC)cc2)C(C)c2ccccc2)n1

HCID87714152

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(NC(=O)C(C(C)c2ccccc2)N2C(=O)NC(c3ccc(SC)cc3)C2=O)n1

HCID87713776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-209a47c8558b452d8b4457daeb8d2484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:21][C:22]([CH:23]([c:24]2[cH:25][cH:26][c:27]([S:30][CH3:31])[cH:28][cH:29]2)[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])=[O:41])[s:8][cH:9]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:66][CH2:67][Cl:68].[O:51]=[C:52]([Cl:53])[O:54][C:55]([Cl:56])([Cl:57])[Cl:58].[OH:59][C:60]([C:61]([F:62])([F:63])[F:64])=[O:65]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[N:21]2[C:22](=[O:40])[CH:23]([c:24]3[cH:25][cH:26][c:27]([S:30][CH3:31])[cH:28][cH:29]3)[NH:32][C:33]2=[O:34])=[O:41])[s:8][cH:9]1