HRID300736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6916

Diethylcarbamoyl chloride

C5H10ClNO

HCID24841

Hydrogen iodide

2 次

结构：Cc1ccc(S(=O)(=O)N2CC3CC2CN3Cc2ccccc2)cc1

HCID291412

2-Benzyl-5-(4-methylbenzene-1-sulfonyl)-2,5-diazabicyclo[2.2.1]heptane

C19H22N2O2S

HCID562932

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

C12H16N2

HCID178427364

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID21545497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76b4eb7fb397414abf3b60863f90ebcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:45]([N:46]1[CH2:47][CH:48]2[CH2:49][CH:50]1[CH2:51][NH:52]2)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH2:61]([CH3:62])[N:63]([C:64](=[O:65])[Cl:66])[CH2:67][CH3:68].[CH:69]([Cl:70])([Cl:71])[Cl:72].[IH:43].[IH:44].[Na+:60].[OH-:59].[OH2:73].[S:19]([c:20]1[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]1)(=[O:27])(=[O:28])[N:29]1[CH:30]2[CH2:31][N:32]([CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH:33]([CH2:34]1)[CH2:35]2.[S:1]([N:2]1[CH2:3][CH2:4][CH2:5][C:6]1([OH:7])[CH2:8][OH:9])([c:10]1[cH:11][cH:12][c:13]([CH3:14])[cH:15][cH:16]1)(=[O:17])=[O:18]>>[ClH:66].[N:29]1([C:64]([N:63]([CH2:61][CH3:62])[CH2:67][CH3:68])=[O:65])[CH:30]2[CH2:31][N:32]([CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH:33]([CH2:34]1)[CH2:35]2