HRID153775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733160

1-Hydroxy-1-cyclopropanecarboxylic acid

C4H6O3

结构：CC(N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1

HCID69092021

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1(O)CC1)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1

HCID72258703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d5646a532b041d98c4603c6a6aa0ae1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[OH:32][C:33]1([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][C:36]([C:33]4([OH:32])[CH2:34][CH2:35]4)=[O:37])[c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1