HRID281757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID6344

Dichloromethane

CH2Cl2

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID56924452

未命名化合物

2 次

HCID57988970

8-Acetyl-5-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one

C17H15NO4

PRODUCTS

生成物

结构：O=C1COc2c(C(=O)CCl)ccc(OCc3ccccc3)c2N1

HCID57989161

5-(Benzyloxy)-8-(chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

C17H14ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf9834fedd8b4f8f96242dd63855f23f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:20]([CH3:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:27]2[c:28]1[O:29][CH2:30][C:31](=[O:33])[NH:32]2.[CH2:9]([N+:10]([CH3:11])([CH3:12])[CH3:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[Cl:51][CH2:52][Cl:53].[I:1]([Cl:2])(=[O:3])=[O:4].[I:5](=[O:6])(=[O:7])[Cl:8].[Na+:50].[OH2:59].[S:46](=[O:47])([OH:48])[O-:49]>>[Cl:8][CH2:21][C:20](=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:27]2[c:28]1[O:29][CH2:30][C:31](=[O:33])[NH:32]2