HRID150745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

结构：CC(OC1OCCC(C=O)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID18419662

未命名化合物

HCID21955364

2-Oxa-8-azaspiro[4.5]decan-4-ol

C8H15NO2

PRODUCTS

生成物

结构：CC(OC1OCCC(CN2CCC3(CC2)COCC3O)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID44216082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55215cbf18544a14b363b3848837b07f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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