HRID664167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID12291

Piperidine, 1-methyl-

C6H13N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID13682059

未命名化合物

HCID15020124

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1SCC(C)NC(=O)C(NC(=O)OC(C)C)C(C)C

HCID178424409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d62dbf9c441b4b148477a72be268a4ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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