HRID700944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID8028

Tetrahydrofuran

C4H8O

结构：N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O

HCID9924495

Perampanel

C23H15N3O

PRODUCTS

生成物

HCID243

Benzoic acid

C7H6O2

HCID9924495

Perampanel

C23H15N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a6bf0c8848c4a099df1a3d9847d7bec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:7](#[N:8])[c:9]1[c:10](-[c:15]2[c:16](=[O:33])[n:17](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:1]([C:2]([CH3:3])=[O:4])[CH3:5].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:6].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:7](#[N:8])[c:9]1[c:10](-[c:15]2[c:16](=[O:33])[n:17](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[O:34]=[C:35]([OH:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1