HRID669241

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+

2 次

HCID11552

3-Methylbutanal

C5H10O

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1CCNCC1C(O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1

HCID178452283

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN1CCN(C(=O)OC(C)(C)C)C(C(O)C(Cc2ccccc2)N=C(c2ccccc2)c2ccccc2)C1

HCID178446117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a58be3b0c74defab1b7fa4479403df
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

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