HRID118019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31348

Citrate

C6H5O7-3

HCID22452668

未命名化合物

结构：CN(CC(CC=O)c1ccc(F)c(F)c1)C(=O)c1cccc2c1CCCC2

HCID22452683

未命名化合物

PRODUCTS

生成物

结构：CN(CC(CCN1CCC(c2ccccc2S(C)(=O)=O)CC1)c1ccc(F)c(F)c1)C(=O)c1cccc2c1CCCC2

HCID22452689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84a8fb7d39aa4480885250481edefe25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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