HRID2143814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1099

Sulfite

O3S-2

HCID24386

Thionyl chloride

Cl2OS

HCID24638

Chlorosulfuric acid

HClO3S

HCID31275

1,4-Dioxane

C4H8O2

HCID79761

Urea, N-butyl-N'-hydroxy-

C5H12N2O2

结构：O=C(NCCc1ccc(S(=O)O)cc1)N1Cc2ccccc2C1=O

HCID21162398

4-[2-[[(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)carbonyl]amino]ethyl]benzenesulfinic acid

C17H16N2O4S

PRODUCTS

生成物

结构：CCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2Cc3ccccc3C2=O)cc1

HCID21162325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0637123fc8f4b5ebd46e1692c0c7cb4
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

[NH3:49].[Na+:34].[Na+:35].[O:1]=[C:2]1[N:3]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])[OH:24])[cH:20][cH:21]2)[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56].[OH:36][NH:37][C:38](=[O:39])[NH:40][CH2:41][CH2:42][CH2:43][CH3:44].[S:25]([Cl:26])([OH:27])(=[O:28])=[O:29].[S:30]([O-:31])([O-:32])=[O:33].[S:45]([Cl:46])([Cl:47])=[O:48]>>[O:1]=[C:2]1[N:3]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[NH:37][C:38](=[O:39])[NH:40][CH2:41][CH2:42][CH2:43][CH3:44])[cH:20][cH:21]2)[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21