HRID2125631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID556269

Methylsulfonylmethylsulfonyl chloride

C2H5ClO4S2

结构：NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID56851357

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CS(=O)(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID57597201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffd521f5f4f64a1287babd33592be5d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:50](=[O:51])([O-:52])[OH:53].[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:41][S:42](=[O:43])(=[O:44])[CH2:45][S:46](=[O:47])(=[O:48])[Cl:49].[Cl:55][CH2:56][Cl:57].[ClH:1].[ClH:2].[NH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:33])[c:19]([O:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[cH:20][cH:21]3)[c:14]12.[Na+:54]>>[NH:3]([CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:33])[c:19]([O:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[cH:20][cH:21]3)[c:14]12)[S:46]([CH2:45][S:42]([CH3:41])(=[O:43])=[O:44])(=[O:47])=[O:48]