HRID669438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID24762463

未命名化合物

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CCC1

HCID58179695

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester

C17H30BNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CCC1

HCID58179868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7a23f70db434d68a0ed504a0273eb77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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