HRID179785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8373

2-Methylbenzoic acid

C8H8O2

结构：CCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324145

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C

HCID59324162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd99d52ec1e444a484f824a8296ab9b8
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

[CH2:11]([CH3:12])[NH:13][CH2:14][C:15]([C:16]([F:17])([F:18])[F:19])([OH:20])[CH2:21][NH:22][c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8]([OH:9])=[O:10]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:10])[N:13]([CH2:11][CH3:12])[CH2:14][C:15]([C:16]([F:17])([F:18])[F:19])([OH:20])[CH2:21][NH:22][c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1