HRID101249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=CCN(CCOS(C)(=O)=O)CC(=O)OC(C)(C)C

HCID57214443

未命名化合物

HCID178476994

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=CCN(CCSC(C)=O)CC(=O)OC(C)(C)C

HCID73879451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ddc6b33adb4b3a84119dd345798791
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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