HRID152206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2775651

2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid

C6H4F3NO3

结构：NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(F)c(OC2CC2)c1

HCID178510759

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)NC(Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(F)c(OC3CC3)c2)c(C(F)(F)F)o1

HCID72291213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55e17b57661f4cb49734d4d1f730f947
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

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