HRID287594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID12389264

Methyl 4-hydroxy-3,5-dimethylbenzoate

C10H12O3

结构：Fc1cc2nc(-c3ccc(Cl)cc3)n(C(COCC3CCCCC3)C3CCCCC3)c2cc1F

HCID66619202

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C)c(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(C)c1

HCID66619610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28be329662ed4938a57b70692a39f494
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

[CH3:35][O:36][C:37]([c:38]1[cH:39][c:40]([CH3:46])[c:41]([OH:45])[c:42]([CH3:44])[cH:43]1)=[O:47].[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][CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1.[N:48]([C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])=[N:56][C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63]>>[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:45][c:41]2[c:40]([CH3:46])[cH:39][c:38]([C:37]([O:36][CH3:35])=[O:47])[cH:43][c:42]2[CH3:44])[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1