HRID173044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID61779838

未命名化合物

HCID86245257

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C

HCID11531838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12784b7ab0d74ce49e281340120852cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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