HRID692598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID7972

4-Methylmorpholine

C5H11NO

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(N)(=O)=O)CC2)nc1N

HCID10072033

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(=O)(=O)NC(C)=O)CC2)nc1N

HCID10480467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66bfd4e9301c4c78ba5cf69274465ac6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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