HRID2349724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID4040

未命名化合物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID433582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba8c82ea17f0496c982085fb6f7fa3ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:10]([O:11][CH2:12][CH3:13])(=[O:14])[CH3:15].[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[Cl:36].[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][SH:8])=[O:9].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[ClH:16].[ClH:1].[Na+:37].[OH2:52].[OH:38][C:39](=[O:40])[O-:41]>>[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][S:8][C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:9].[ClH:36]