HRID121379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID39497

p-Cyanobenzenesulphonyl chloride

C7H4ClNO2S

结构：NCCCN1CCN(CC(=O)OC(c2ccccc2)c2ccccc2)C(=O)C1=O

HCID54313971

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(S(=O)(=O)NCCCN2CCN(CC(=O)OC(c3ccccc3)c3ccccc3)C(=O)C2=O)cc1

HCID54344221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab2c3d8e584947039d18a6fb9781b289
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

[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:37][cH:38]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:1].[ClH:50].[NH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:30])[C:8](=[O:29])[N:9]([CH2:12][C:13](=[O:14])[O:15][CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:10][CH2:11]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56]>>[NH:2]([CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:30])[C:8](=[O:29])[N:9]([CH2:12][C:13](=[O:14])[O:15][CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:10][CH2:11]1)[S:39]([c:36]1[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:38][cH:37]1)(=[O:40])=[O:41]