HRID290984

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

HCID9855777

4-Vinylbenzenesulfonyl chloride

C8H7ClO2S

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：C=Cc1ccc(S(=O)(=O)N2CCN(CC3(NC(=O)OCC)CCN(c4ccnc(C)c4)CC3)C(=O)C2)cc1

HCID10143653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-793153b8304b464587cc0f592b6bd2bc
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

[CH2:9]([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].[CH:36](=[CH2:37])[c:38]1[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:42][cH:43]1.[Cl:54][CH2:55][Cl:56].[ClH:8].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[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:44]([c:41]3[cH:40][cH:39][c:38]([CH:36]=[CH2:37])[cH:43][cH:42]3)(=[O:45])=[O:46])[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