HRID312102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID7019368

Methyl 3-fluoro-4-hydroxybenzoate

C8H7FO3

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619310

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1

HCID66619504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11180cc37f9146c1a19c403f46f5a079
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

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