HRID2324742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

结构：CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(S(C)=O)nc21

HCID22220167

未命名化合物

HCID22220191

2,6-Dimethoxypyridin-4-amine

C7H10N2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3cc(OC)nc(OC)c3)nc21

HCID22220175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5c6660139d476a90bed3153da9157c
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

[CH2:12]([Li:13])[CH2:14][CH2:15][CH3:16].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:17][O:18][c:19]1[cH:20][c:21](-[c:27]2[cH:28][c:29]3[c:30]([n:31][c:32]([S:35]([CH3:36])=[O:37])[n:33][cH:34]3)[n:38]([CH2:41][CH3:42])[c:39]2=[O:40])[cH:22][c:23]([O:25][CH3:26])[cH:24]1.[CH3:49][C:50]#[N:51].[ClH:43].[NH2:1][c:2]1[cH:3][c:4]([O:10][CH3:11])[n:5][c:6]([O:8][CH3:9])[cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([O:10][CH3:11])[n:5][c:6]([O:8][CH3:9])[cH:7]1)[c:32]1[n:31][c:30]2[c:29]([cH:28][c:27](-[c:21]3[cH:20][c:19]([O:18][CH3:17])[cH:24][c:23]([O:25][CH3:26])[cH:22]3)[c:39](=[O:40])[n:38]2[CH2:41][CH3:42])[cH:34][n:33]1