HRID113293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11220314

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCCc2nc(-c3cccc(Br)c3)oc2C)cc1

HCID20823121

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(Cc1ccc(OCCc2nc(-c3cccc(Br)c3)oc2C)cc1)Oc1ccccc1

HCID20823140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6aa95b14c8d49cc809305c2c7d39108
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

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