HRID1127313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18453532

未命名化合物

HCID69487434

2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3-oxazole-4-carboxylic acid

C13H8F3NO3

PRODUCTS

生成物

结构：O=C(Nc1ccc(CCCCn2ccnn2)cc1)c1coc(C=Cc2ccc(C(F)(F)F)cc2)n1

HCID72787656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6e3386f0d8d42748b74b32b21a070b6
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

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