HRID1127620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9321

Hydrazine

H4N2

HCID2734183

3,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

反应SMILES：CN1CCN(c2ccc([N+](=O)[O-])c(NS(=O)(=O)c3ccccc3)c2)CC1

HCID11164762

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2NS(=O)(=O)c2ccccc2)cc1OC

HCID10187407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eb3e837056b24f58a86ac6ca64f9c8fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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