HRID140389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

结构：COc1ccc(CNc2c(C(=O)O)cnc3ccc(C#N)cc23)cc1Cl

HCID12069380

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2c(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cnc3ccc(C#N)cc23)cc1Cl

HCID12069383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf6810e99f864f0aae4d6bb28424e535
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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