HRID281519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID123572

3,4-Difluorobenzylamine

C7H7F2N

结构：COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccn3)c2c1

HCID59762424

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1

HCID59762372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d5670109eb74fb8a3067a34f280b603
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5]([CH2:18][c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[c:6]2[cH:7][c:8]([O:16][CH3:17])[cH:9][cH:10][c:11]2[c:12]1[C:13](=[O:14])[OH:15].[Cl:47][CH2:48][Cl:49].[F:30][c:31]1[cH:32][c:33]([CH2:34][NH2:35])[cH:36][cH:37][c:38]1[F:39].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5]([CH2:18][c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[c:6]2[cH:7][c:8]([O:16][CH3:17])[cH:9][cH:10][c:11]2[c:12]1[C:13](=[O:15])[NH:35][CH2:34][c:33]1[cH:32][c:31]([F:30])[c:38]([F:39])[cH:37][cH:36]1