HRID683311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID118623

m-Ethylbenzaldehyde

C9H10O

HCID57803803

5-Ethyl-2-fluorobenzaldehyde

C9H9FO

结构：c1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

HCID68812561

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(F)c(C(O)c2nc(-c3ccccc3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID57803662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96e10ed1063b4138aa9ac5916ee31cfc
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][c:4]([CH:8]=[O:9])[cH:5][cH:6][cH:7]1)[CH3:10].[CH2:41]([CH3:42])[c:43]1[cH:44][cH:45][c:46]([F:51])[c:47]([CH:48]=[O:49])[cH:50]1.[c:11]1(-[c:17]2[n:18][n:19]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:20][n:21]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[c:11]1(-[c:17]2[n:18][n:19]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:20]([CH:48]([c:47]3[c:46]([F:51])[cH:45][cH:44][c:43]([CH2:41][CH3:42])[cH:50]3)[OH:49])[n:21]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1