HRID1204424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

结构：Cc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C=O

HCID46239522

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CN)c1ccc(O)c(NC=O)c1

HCID76546866

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c(NC=O)c1

HCID87086806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24547756069944638ce1989f59a63848
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:39]([OH:40])(=[O:41])[CH3:42].[C:64]([O:65][BH-:66]([O:67][C:68](=[O:69])[CH3:70])[O:71][C:72](=[O:73])[CH3:74])(=[O:75])[CH3:76].[C:78](=[O:79])([OH:80])[O-:81].[CH3:86][OH:87].[CH:2](=[O:3])[c:4]1[cH:5][c:6]([CH3:38])[c:7]([NH:11][C:12](=[O:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([O:22][C:23]([NH:24][c:25]3[c:26](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:28][cH:29][cH:30]3)=[O:37])[CH2:20][CH2:21]2)[cH:8][c:9]1[CH3:10].[Cl:83][CH2:84][Cl:85].[ClH:1].[NH2:43][CH2:44][CH:45]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][c:57]([OH:63])[c:58]([NH:60][CH:61]=[O:62])[cH:59]1.[Na+:77].[Na+:82]>>[CH2:2]([c:4]1[cH:5][c:6]([CH3:38])[c:7]([NH:11][C:12](=[O:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([O:22][C:23]([NH:24][c:25]3[c:26](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:28][cH:29][cH:30]3)=[O:37])[CH2:20][CH2:21]2)[cH:8][c:9]1[CH3:10])[NH:43][CH2:44][CH:45]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][c:57]([OH:63])[c:58]([NH:60][CH:61]=[O:62])[cH:59]1