HRID2334434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24901771

[3-(Ethoxycarbonyl)-4-fluorophenyl]boronic acid

C9H10BFO4

结构：CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(OS(=O)(=O)C(F)(F)F)cc3Cl)C(F)(F)F)cc21

HCID86645873

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-c2ccc(C(C)C(O)(c3ccc4c(c3)N(CC)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1F

HCID67545922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac3e891c2b5a4b2b8d4a8093c3ad1653
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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