HRID167617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID62540198

未命名化合物

HCID86245257

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)N2CCC(c3nc(-c4ccccc4F)cs3)CC2)c1C

HCID68778462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72a437ec63f6444da05b20c78d440d41
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].[CH3:45][S:46]([CH3:47])=[O:48].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:17][c:18]1[c:19](-[c:24]2[n:25][c:26]([CH:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[s:27][cH:28]2)[cH:20][cH:21][cH:22][cH:23]1.[OH2:44]>>[CH3:1][c:2]1[n:3][o:4][c:5]([NH:8][C:9](=[O:16])[N:32]2[CH2:31][CH2:30][CH:29]([c:26]3[n:25][c:24](-[c:19]4[c:18]([F:17])[cH:23][cH:22][cH:21][cH:20]4)[cH:28][s:27]3)[CH2:34][CH2:33]2)[c:6]1[CH3:7]