HRID2312466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID1514290

Azetidin-3-ol

C3H7NO

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)N1CC(O)C1

HCID24788565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b036495153234d008ba026cf80a62f52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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