HRID1127109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

HCID53402578

4-(2,4,6-Trifluorobenzoyl)-1H-pyrrole-2-carboxylic acid

C12H6F3NO3

HCID58024802

未命名化合物

PRODUCTS

生成物

结构：COC(CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1)OC

HCID58024795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22390c96f24f41f0b09286b4e5e12924
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

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