HRID176685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID77701671

未命名化合物

PRODUCTS

生成物

结构：CCCCC1CC(NC(C)(C)C)CCC1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

HCID69285657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25fd2694ccd849bd8f20d0acceda1daf
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

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