HRID2324415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID66602681

未命名化合物

结构：CC(C)(C)OC(=O)CCCOc1cnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1

HCID86626523

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)OC(C)(C)C)cn2)c(Br)cc1C(F)(F)F

HCID86626907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-597c232eddf04e18ad8391d528f9f1b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:36][c:37]1[c:38]([CH2:49][Br:50])[cH:39][c:40]([O:47][CH3:48])[c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH: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)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[H-:34].[Na+:35].[OH2:51]>>[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)[CH2:49][c:38]2[c:37]([Br:36])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[c:40]([O:47][CH3:48])[cH:39]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]