HRID295094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25067321

tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylate

C14H18O5

HCID59560289

未命名化合物

结构：COC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc2c1CC(C)O2

HCID59560437

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)c(F)c2)c2c(c1)OC(CO)C2

HCID59559929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-773531842f984c3889ecd0f2d2533968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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