HRID1234341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID10419166

Cyclopropanesulfonic Acid

C3H6O3S

结构：COc1ccc(C(Oc2ccc3c(cnn3-c3ccccn3)c2)C(C)N)cn1

HCID59786569

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(Oc2ccc3c(cnn3-c3ccccn3)c2)C(C)NS(=O)(=O)C2CC2)cn1

HCID24955653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea34908bd24d4245bd2bd69d8a7040e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH3:11])[NH2:12])[O:13][c:14]2[cH:15][c:16]3[cH:17][n:18][n:19](-[c:23]4[n:24][cH:25][cH:26][cH:27][cH:28]4)[c:20]3[cH:21][cH:22]2)[cH:7][n:8]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[CH:37]1([S:40](=[O:41])(=[O:42])[OH:43])[CH2:38][CH2:39]1.[Cl-:36].[Cl-:44].[Cl:46][CH2:47][Cl:48].[NH4+:45]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH3:11])[NH:12][S:40]([CH:37]2[CH2:38][CH2:39]2)(=[O:41])=[O:42])[O:13][c:14]2[cH:15][c:16]3[cH:17][n:18][n:19](-[c:23]4[n:24][cH:25][cH:26][cH:27][cH:28]4)[c:20]3[cH:21][cH:22]2)[cH:7][n:8]1