HRID90890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID102884

tert-butyl L-prolinate

C9H17NO2

HCID4574913

未命名化合物

HCID58204313

未命名化合物

PRODUCTS

产物

HCID67050791

Tert-butyl 1-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxylate

C25H32N6O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fa38a7749a854b27840badd5bb17accc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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