HRID673726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736095

2,4-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

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)c1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C(F)(F)F)c1

HCID86598797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd855ab00f47495db669ccd0d0a96dd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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