HRID156680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6195

1-Naphthaldehyde

C11H8O

结构：Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11234297

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc2c(-c3cccc(NCc4cccc5ccccc45)c3)c(Cc3ccccc3)cnc12

HCID66914564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11882fdfb1f541739ef0fb3dd3b3ce6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]1.[c:29]1([CH:39]=[O:40])[cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([NH:24][CH2:39][c:29]2[cH:30][cH:31][cH:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[cH:21][cH:22][cH:23]1