HRID91155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(Br)c2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2[nH]ncc12

HCID68679989

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3[nH]ncc23)c2c(Br)ccc(O)c21

HCID86599918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6329c410ae14615be05965e0fb8849f
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

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