HRID175086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61814

2,4-Dimethyl benzaldehyde

C9H10O

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：Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)c1

HCID66914248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d34c597f0e3f4db4b20d5a429e2a05b2
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

[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.[CH3:29][c:30]1[c:31]([CH:32]=[O:33])[cH:34][cH:35][c:36]([CH3:38])[cH:37]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][CH2:32][c:31]2[c:30]([CH3:29])[cH:37][c:36]([CH3:38])[cH:35][cH:34]2)[cH:21][cH:22][cH:23]1