HRID1238429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID3603542

3-fluoroazetidine

C3H6FN

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(C=O)cccc4c3=O)cc2)CCC1

HCID86671056

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(CN5CC(F)C5)cccc4c3=O)cc2)CCC1

HCID67067892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e92dc3bced0446499b5c0a0a7d2c82a4
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[o:20][c:21]4[c:22]([CH:29]=[O:30])[cH:23][cH:24][cH:25][c:26]4[c:27]3=[O:28])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:37].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[Cl:58][CH:59]([Cl:60])[CH3:61].[ClH:38].[F:39][CH:40]1[CH2:41][NH:42][CH2:43]1.[Na+:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[o:20][c:21]4[c:22]([CH2:29][N:42]5[CH2:41][CH:40]([F:39])[CH2:43]5)[cH:23][cH:24][cH:25][c:26]4[c:27]3=[O:28])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:37]