HRID2312758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID62541778

未命名化合物

HCID86245259

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(NC(=O)N2CCC(c3nc(-c4cccc(F)c4)cs3)CC2)cn1

HCID68776413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23bb2e405aa04d8ab9aaf4959a87f2f9
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

[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.[CH3:48][S:49]([CH3:50])=[O:51].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[F:20][c:21]1[cH:22][c:23](-[c:27]2[n:28][c:29]([CH:32]3[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[s:30][cH:31]2)[cH:24][cH:25][cH:26]1.[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:35]2[CH2:34][CH2:33][CH:32]([c:29]3[n:28][c:27](-[c:23]4[cH:22][c:21]([F:20])[cH:26][cH:25][cH:24]4)[cH:31][s:30]3)[CH2:37][CH2:36]2)[cH:9][n:10]1