HRID89638

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

HCID270655

Boc-DL-valine

C10H19NO4

HCID18965409

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)sc2ccccc12

HCID178426615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f8aa3455bcd45c8836fa7ddca58af8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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