HRID307883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1ccc(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1

HCID23103401

未命名化合物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)OCC(Cl)(Cl)Cl

HCID59420872

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1

HCID59420874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf811dc7dff84ac08cae535a7790089f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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