HRID156818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1

HCID57581499

未命名化合物

PRODUCTS

产物

反应SMILES：CC1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1S(=O)(=O)c1ccccc1

HCID25151455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a68fa684b8f541fc862ddbe18224ce83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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