HRID1146671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1nc(-c2c(C)c(C#N)c3nc(C4CC4)oc3c2F)cs1

HCID68584805

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2c(C)c(C#N)c3nc(C4CC4)oc3c2N2CCC(N(C)C)C2)cs1

HCID77526441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9880e2d5e664471bb20b61d91bceeac
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

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