HRID1554690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

3 次

HCID31275

1,4-Dioxane

C4H8O2

HCID21100136

8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one

C17H15NO4

PRODUCTS

生成物

结构：O=C1COc2c(cc(OCc3ccccc3)cc2C(=O)CBr)N1

HCID44249592

6-(Benzyloxy)-8-(bromoacetyl)-2H-1,4-benzoxazin-3(4H)-one

C17H14BrNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efce0b4888ce4947adb359217e0f59b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:23].[Br-:24].[Br-:25].[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:7][c:8]2[c:13]1[O:12][CH2:11][C:10](=[O:14])[NH:9]2.[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH2:60]([N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH3:76].[CH2:78]1[O:79][CH2:80][CH2:81][O:82][CH2:83]1.[CH3:84][OH:85].[OH2:77]>>[C:1]([CH2:2][Br:23])(=[O:3])[c:4]1[cH:5][c:6]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:7][c:8]2[c:13]1[O:12][CH2:11][C:10](=[O:14])[NH:9]2