HRID101639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID522711

3-(3'-(Trifluoromethyl)phenoxy)benzaldehyde

C14H9F3O2

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)c1cccc(Oc2cccc(CNc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c2)c1

HCID86598787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32f52458dfcc463291a9344b846cd088
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[F:29][C:30]([c:31]1[cH:32][c:33]([O:34][c:35]2[cH:36][c:37]([CH:38]=[O:39])[cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45]1)([F:46])[F:47]>>[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][CH2:38][c:37]2[cH:36][c:35]([O:34][c:33]3[cH:32][c:31]([C:30]([F:29])([F:46])[F:47])[cH:45][cH:44][cH:43]3)[cH:42][cH:41][cH:40]2)[cH:21][cH:22][cH:23]1