HRID98618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1N

HCID1275346

未命名化合物

HCID18470059

3-Benzamidobenzoyl chloride

C14H10ClNO2

PRODUCTS

生成物

结构：Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc(NC(=O)c2ccccc2)c1

HCID23150030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af841257de554c509e1a15ef3891a87e
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

[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:27])[NH:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][cH:37]1.[CH3:1][c:2]1[c:3]([NH2:4])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH3:1][c:2]1[c:3]([NH:4][C:32]([c:31]2[cH:30][c:29]([NH:28][C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[cH:37][cH:36][cH:35]2)=[O:33])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1