HRID2333258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID22247149

未命名化合物

反应SMILES：O=S(=O)(CCN1CCNCC1)c1nc2ccccc2[nH]1

HCID22272600

未命名化合物

PRODUCTS

产物

反应SMILES：CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCS(=O)(=O)c2nc3ccccc3[nH]2)CC1

HCID22272690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-845b873fa22f4119827ea6f11534bf98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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