HRID1120196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CCOC(=O)C(CC1CC1)c1cc(Br)c(N)c(OCC(F)(F)F)c1

HCID57995498

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC1CC1)c1cc(OCC(F)(F)F)c(N)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d924788856406e8d3a8db8b16c4fd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1)([F:36])[F:37].[NH2:1][c:2]1[c:3]([Br:24])[cH:4][c:5]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH:21]2[CH2:22][CH2:23]2)[cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[OH2:44]>>[NH2:1][c:2]1[c:3](-[c:30]2[cH:29][cH:28][c:27]([C:26]([F:25])([F:36])[F:37])[cH:32][cH:31]2)[cH:4][c:5]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH:21]2[CH2:22][CH2:23]2)[cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]