HRID696287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7456

Methylparaben

C8H8O3

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21

HCID66619499

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1

HCID66619345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc87597cb8654ac5b9d6cdfb44699eab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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