HRID1147860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

结构：CCOC(=O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

HCID9805775

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

HCID9869142

CP-471358

C21H23FN2O7S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60153c75f91f4849825edea0e36cf1f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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