HRID150793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID11665405

未命名化合物

结构：COc1ccc(C(OCC2OC(n3cnc4c(=O)[nH]c(NC(C)=O)nc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID137313507

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(OCC2OC(n3cnc4c(=O)[nH]c(NC(C)=O)nc43)C(OCOCCC#N)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID178491434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fca85ce4c34642438243c8eea9222c26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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