HRID181236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID765653

Quinoline-6-carbaldehyde

C10H7NO

结构：Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCNC5)n[nH]c3c2)cc1F

HCID178516038

未命名化合物

PRODUCTS

生成物

结构：Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCN(Cc4ccc6ncccc6c4)C5)n[nH]c3c2)cc1F

HCID178516039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4bc07e7724641f5b26dc92700649b5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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