HRID1235682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID98210

3-Pyrrolidinol

C4H9NO

结构：CC(NC(=O)C(C)(Cc1cn(C(=O)OCOC(=O)c2ccc(C=O)cc2)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1

HCID20669917

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(NC(=O)C(C)(Cc1cn(C(=O)OCOC(=O)c2ccc(CN3CCC(O)C3)cc2)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1

HCID54198661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4fd851d94ea4a25960de6a0f0bea0a5
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

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