HRID686011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID166653

Hydride

H-

HCID2763839

2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-

C9H9NO2

结构：CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1

HCID56834478

未命名化合物

结构：COc1ccc2ccc(=O)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

HCID59371209

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)N(CCN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)CO2

HCID86642624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9815d807cc54115ad1a1350270ca549
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

[CH3:15][S:16]([O:17][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:26][CH2:27]1)(=[O:18])=[O:19].[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[NH:7][C:8](=[O:11])[CH2:9][O:10]2.[CH3:36][O:37][c:38]1[cH:39][c:40]2[c:41]([cH:42][cH:43][c:44](=[O:45])[n:46]2[CH2:47][CH2:48][N:49]2[CH2:50][CH2:51][CH:52]([NH:53][C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:61][CH2:62]2)[cH:63][cH:64]1.[CH3:65][OH:66].[Cl:67][CH2:68][Cl:69].[H-:13].[Na+:14]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:12]1)[N:7]([CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:26][CH2:27]1)[C:8](=[O:11])[CH2:9][O:10]2