HRID189688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID61739

Hypochlorite

ClO-

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCNCC2

HCID66742759

未命名化合物

HCID178418616

未命名化合物

PRODUCTS

生成物

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccn1)CC2

HCID59577913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fcb1bf1da7741f1922e248a31db7bee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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