HRID183105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1

HCID18401725

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)N(c1ccncc1)CN2c1ccccc1

HCID10230890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52c32b90161a4c32bd85862ba74425e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:43][C:44](=[O:45])[O-:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:54][CH2:55][Cl:56].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][C:11]3([C:12](=[O:22])[NH:13][CH2:14][N:15]3[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:23][CH2:24]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[n:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][C:11]3([C:12](=[O:22])[N:13]([c:37]4[cH:36][cH:35][n:34][cH:39][cH:38]4)[CH2:14][N:15]3[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:23][CH2:24]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]