HRID113261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID98210

3-Pyrrolidinol

C4H9NO

结构：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)OCc4ccccc4)CC3)cc2F)ccn1)Oc1ccccc1

HCID24788625

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)OCc4ccccc4)CC3)cc2F)ccn1)N1CCC(O)C1

HCID68501114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef211ad49d29488999b3e8f67785fd4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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