HRID119370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID86074

2,3-Dihydro-1H-indole-2-carboxylic acid

C9H9NO2

结构：Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)Cl)cc1

HCID21090679

4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzene-1-sulfonyl chloride

C17H14ClNO4S

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)cc1

HCID21090671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-195331771af84879a58c51d6a90e8f99
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

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