HRID194129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID308739

2-Phthalimidoethanesulfonyl chloride

C10H8ClNO4S

结构：CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1

HCID15392056

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)CCN4C(=O)c5ccccc5C4=O)ccc3[nH]2)CC1

HCID21477656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d858d1ef887a474cbfa5f2c4f09ba42b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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