HRID681676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID674

Dimethylamine

C2H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1

HCID44546728

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1

HCID44517829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6debef6640224baaa05a5d57f40d9d12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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