HRID134068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID9989607

2-chloro-5-methyl-1,3-benzoxazole

C8H6ClNO

结构：CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OCC)ccc1OC

HCID66604101

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)c2nc3cc(C)ccc3o2)c1

HCID66607250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8384232dbcd414398249ed8b8124213
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

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