HRID1129820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：N#Cc1c(Oc2ccc(F)c(NC(=O)C(F)(F)F)c2)ccc2nc(N)sc12

HCID71819024

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(Oc2ccc(F)c(NC(=O)C(F)(F)F)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID71819025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfd3cac9586e4dc3a3d194cb1be5c833
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

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