HRID951197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID57354995

Ethyl 2-bromo-4,5,7,8-tetrahydro-6H-thieno[2,3-d]azepine-6-carboxylate

C11H14BrNO2S

结构：CC1(C)OB(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)OC1(C)C

HCID58179457

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCc2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)sc2CC1

HCID58179782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74da5444cb714d549b73299f74cfb5d2
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:30][c:31]1[cH:32][c:33]2[c:39]([s:40]1)[CH2:38][CH2:37][N:36]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:35][CH2:34]2.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12][c:13]2-[c:14]2[c:15]([NH2:29])[n:16][cH:17][c:18]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:19]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12][c:13]2-[c:14]2[c:15]([NH2:29])[n:16][cH:17][c:18](-[c:31]3[cH:32][c:33]4[c:39]([s:40]3)[CH2:38][CH2:37][N:36]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:35][CH2:34]4)[cH:19]2)[cH:4][cH:5][cH:6][c:7]1[F:8]