HRID2332264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3014285

4-Methyl-1-naphthalenecarboxylic acid

C12H10O2

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

HCID22262196

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccc(F)cc2)c2ccccc12

HCID22261573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3927754fa3742049ed2a41f28e59e8d
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

[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:24][c:25]1[cH:26][cH:27][c:28]([C:35](=[O:36])[OH:37])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:1].[ClH:38].[ClH:60].[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])=[O:23])[cH:7][cH:8]1.[OH2:66].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:35]([c:28]2[cH:27][cH:26][c:25]([CH3:24])[c:34]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)=[O:36])=[O:23])[cH:7][cH:8]1