HRID2125018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)OC(C)(C)C)cn2)c(-c2cc(C(C)C)c(F)cc2OC)cc1OC

HCID86626905

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)c(-c2cc(C(C)C)c(F)cc2OC)cc1OC

HCID86626906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-653598d052204a0e94262838e159e1c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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