HRID142242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID250078

2-isopropoxybenzaldehyde

C10H12O2

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：CC(C)Oc1ccccc1CNc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID66914485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a02c554884f4ec7926f0076be1d7dc9
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.[CH:29]([CH3:30])([CH3:31])[O:32][c:33]1[c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39][cH:40]1>>[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][CH2:35][c:34]2[c:33]([O:32][CH:29]([CH3:30])[CH3:31])[cH:40][cH:39][cH:38][cH:37]2)[cH:21][cH:22][cH:23]1