HRID104076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C1c2ccccc2C(=O)N(C2CCCCC2NS(C)(=O)=O)C1c1ccc(Cl)cc1Cl

HCID68499589

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NC1CCCCC1N1C(=O)c2ccccc2C(C(=O)O)C1c1ccc(Cl)cc1Cl

HCID68445921

(3RS,4RS)-3-(2,4-dichlorophenyl)-2-{(1SR,2SR)-2-[(mesyl)amino]cyclohexyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C23H24Cl2N2O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5ac26d617d4488690e0e7e59c010622
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

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