HRID95529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID498716

未命名化合物

结构：CC(C)(C)OC(=O)N(CCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)Cc1ccccc1

HCID178453347

未命名化合物

PRODUCTS

生成物

结构：CN(CCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)Cc1ccccc1

HCID178483320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdaf54ff71f24e2c885248e2ef1ca8d3
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

[C:46]([BH3-:47])#[N:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][CH2:17][c:18]1[n:19][c:20]([OH:36])[c:21]([OH:35])[c:22]([C:24](=[O:25])[NH:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:23]1.[CH2:37]([N:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[CH3:43].[CH2:44]=[O:45].[CH3:60][C:61](=[O:62])[OH:63].[Cl:57][CH2:58][Cl:59].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[Na+:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:16][CH2:17][c:18]1[n:19][c:20]([OH:36])[c:21]([OH:35])[c:22]([C:24](=[O:25])[NH:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:23]1