HRID2315700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID57911769

未命名化合物

结构：CC(C)N1CCC(c2nc3cc(-c4ccc(F)cc4F)nc(Cl)n3n2)CC1

HCID58306020

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(c2nc3cc(-c4ccc(F)cc4F)nc(N4CCCC(Nc5ccc(C#N)cn5)C4)n3n2)CC1

HCID44480620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c59b853f869f40799477d78ba68efad5
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

[CH3:54][S:55]([CH3:56])=[O:57].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:2][c:3]1[n:4][c:5](-[c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:29].[NH:30]1[CH2:31][CH:32]([NH:36][c:37]2[cH:38][cH:39][c:40]([C:43]#[N:44])[cH:41][n:42]2)[CH2:33][CH2:34][CH2:35]1>>[c:3]1([N:30]2[CH2:31][CH:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([C:43]#[N:44])[cH:41][n:42]3)[CH2:33][CH2:34][CH2:35]2)[n:4][c:5](-[c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2