HRID1126097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID11126624

4-(1,3-dioxolan-2-yl)aniline

C9H11NO2

结构：O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1cccc(C(=O)Cl)c1

HCID86646969

未命名化合物

PRODUCTS

生成物

结构：O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1cccc(C(=O)Nc2ccc(C3OCCO3)cc2)c1

HCID66771841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7650d80ab004ca4967691d740fca792
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:59](=[O:60])([OH:61])[O-:62].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[Cl:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([CH2:31][NH:32][C:33](=[O:34])[CH2:35][CH2:36][N:37]2[CH2:38][CH2:39][CH:40]([O:43][C:44]([NH:45][c:46]3[c:47](-[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:48][cH:49][cH:50][cH:51]3)=[O:58])[CH2:41][CH2:42]2)[cH:28][cH:29][cH:30]1.[Cl:64][CH2:65][Cl:66].[Na+:63].[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[O:3][CH2:4][CH2:5]1>>[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9]([NH:12][C:23](=[O:24])[c:25]3[cH:26][c:27]([CH2:31][NH:32][C:33](=[O:34])[CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][CH:40]([O:43][C:44]([NH:45][c:46]5[c:47](-[c:52]6[cH:53][cH:54][cH:55][cH:56][cH:57]6)[cH:48][cH:49][cH:50][cH:51]5)=[O:58])[CH2:41][CH2:42]4)[cH:28][cH:29][cH:30]3)[cH:10][cH:11]2)[O:3][CH2:4][CH2:5]1