HRID1568626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1182

DL-Valine

C5H11NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11219458

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3)C(=O)O

HCID9950340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cadf93d62fa747d5a87fe8e0ad70a496
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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