HRID954545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID78603

o-Phenethylbenzoic acid

C15H14O2

HCID737487

methyl 6-aminonicotinate

C7H8N2O2

结构：COC(=O)c1ccc(N=Cc2ccccc2CCc2ccccc2)nc1

HCID22675502

未命名化合物

PRODUCTS

生成物

HCID22675471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b5c7e77682543f5acd51d900d9eb225
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[C:19]([OH:20])=[O:21])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH2:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[c:38]([CH:39]=[N:40][c:41]2[n:42][cH:43][c:44]([C:47](=[O:48])[O:49][CH3:50])[cH:45][cH:46]2)[cH:51][cH:52][cH:53][cH:54]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]([O:7][CH3:8])=[O:9])[cH:10][n:11]1>>[CH2:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[c:38]([CH2:39][NH:40][c:41]2[n:42][cH:43][c:44]([C:47](=[O:48])[O:49][CH3:50])[cH:45][cH:46]2)[cH:51][cH:52][cH:53][cH:54]1