HRID943739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1nc(-c2cn3c(n2)-c2ccc(Br)cc2OCC3)n(C(C)C)n1

HCID58204322

9-Bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

C17H18BrN5O

结构：CCOC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204434

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

C15H25BN2O4

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)n1cc(-c2ccc3c(c2)OCCn2cc(-c4nc(C)nn4C(C)C)nc2-3)cn1

HCID58204648

ethyl 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoate

C26H31N7O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-112cfe5a48db474ca8ed6f532e3620cd
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:1][c:2]1[cH:3][c:4]2[c:5]([cH:23][cH:24]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][c:16]([CH3:22])[n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[C:47](=[O:48])([O-:49])[O-:50].[CH2:54]([CH2:55][O:56][CH3:57])[O:58][CH3:59].[CH3:25][C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])([CH3:32])[n:33]1[n:34][cH:35][c:36]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:37]1.[Cs+:51].[Cs+:52].[OH2:53]>>[c:2]1(-[c:36]2[cH:35][n:34][n:33]([C:26]([CH3:25])([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:32])[cH:37]2)[cH:3][c:4]2[c:5]([cH:23][cH:24]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][c:16]([CH3:22])[n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2