HRID2344283

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

HCID67134825

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccn2cc(CN(CC3OCCO3)C(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)nc2c1

HCID58024818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4cf52f78ad746f9ada2e4697944887a
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]([Cl:40])[CH2:41][Cl:42].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[F:20][c:21]1[c:22]([C:23](=[O:24])[c:25]2[cH:26][c:27]([C:30](=[O:31])[OH:32])[nH:28][cH:29]2)[c:33]([F:38])[cH:34][c:35]([F:37])[cH:36]1.[O:1]1[CH:2]([CH2:6][NH:7][CH2:8][c:9]2[n:10][c:11]3[n:12]([cH:13][cH:14][c:15]([C:17]#[N:18])[cH:16]3)[cH:19]2)[O:3][CH2:4][CH2:5]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[O:1]1[CH:2]([CH2:6][N:7]([CH2:8][c:9]2[n:10][c:11]3[n:12]([cH:13][cH:14][c:15]([C:17]#[N:18])[cH:16]3)[cH:19]2)[C:30]([c:27]2[cH:26][c:25]([C:23]([c:22]3[c:21]([F:20])[cH:36][c:35]([F:37])[cH:34][c:33]3[F:38])=[O:24])[cH:29][nH:28]2)=[O:31])[O:3][CH2:4][CH2:5]1