HRID282114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID151210

6-Methylanthranilic acid

C8H9NO2

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：Cc1cccc(NS(=O)(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c1C(=O)O

HCID11352042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c84c8b0118c74fd5a64018446547be04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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