HRID682239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

反应SMILES：O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCNCC1

HCID59750797

未命名化合物

PRODUCTS

产物

反应SMILES：O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCN(Cc2ccccc2)CC1

HCID59750726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d0c06548ac524f38a0cf4aa9951cc3ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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