HRID98119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11150121

未命名化合物

HCID11243897

1-chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

C17H10ClFN2O

HCID11335963

未命名化合物

PRODUCTS

产物

HCID11737513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-441a3d83d8ba47149286334ce7730cfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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