HRID114512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID17233868

未命名化合物

HCID86245259

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)c(C)s3)CC2)cn1

HCID68779446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3223af4273b54284bdf75df369f647e0
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

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