HRID151273

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

HCID8471

Triethylamine

C6H15N

HCID388550

1-(((2-(Methylsulfonyl)ethoxy)carbonyl)oxy)-2,5-pyrrolidinedione

C8H11NO7S

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)CCOC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID57597163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f0665cb6fff4c2c8e2779abc76cf5cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:58](=[O:59])([O-:60])[OH:61].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][S:42](=[O:43])(=[O:44])[CH2:45][CH2:46][O:47][C:48](=[O:49])[O:50][N:51]1[C:52](=[O:53])[CH2:54][CH2:55][C:56]1=[O:57].[Cl:63][CH2:64][Cl:65].[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+:62]>>[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)[C:48]([O:47][CH2:46][CH2:45][S:42]([CH3:41])(=[O:43])=[O:44])=[O:49]