HRID1137398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID11369405

未命名化合物

结构：FC(F)(F)c1ccc(-c2cc3nc(CN4CCOCC4)nn3c(Cl)n2)cc1

HCID59313138

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)cc3nc(CN4CCOCC4)nn23)nc1

HCID68713680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-015a987775c44f708910ce5425f31933
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:47][S:48]([CH3:49])=[O:50].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl:1][c:2]1[n:3][c:4](-[c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[n:10]2.[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[NH2:35][CH2:36][CH2:37][NH:38][c:39]1[n:40][cH:41][c:42]([C:43]#[N:44])[cH:45][cH:46]1>>[c:2]1([NH:35][CH2:36][CH2:37][NH:38][c:39]2[n:40][cH:41][c:42]([C:43]#[N:44])[cH:45][cH:46]2)[n:3][c:4](-[c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[n:10]2