HRID104124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID10635129

6-Chloro-2-Naphthylsulfonyl Chloride

C10H6Cl2O2S

结构：CCOC(=O)NC1(CN2CCNCC2=O)CCN(c2ccnc(C)c2)CC1

HCID21948313

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC1(CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CCN(c2ccnc(C)c2)CC1

HCID21948295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca44110fa4de4e71ba7660c2a6927ead
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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