HRID111630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID996

Phenol

C6H6O

HCID67874

4-(Trifluoromethyl)phenol

C7H5F3O

HCID166653

Hydride

H-

HCID5360545

Sodium

HCID12851436

(1-Bromo-3-chloropropyl)benzene

C9H10BrCl

HCID20336070

未命名化合物

HCID20336078

未命名化合物

HCID54111213

未命名化合物

PRODUCTS

生成物

HCID258010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d4943dc594f423eaffe2f4c0dd3803a
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

[CH3:88][S:89]([CH3:90])=[O:91].[F:14][C:15]([F:16])([F:17])[c:18]1[cH:19][cH:20][c:21]([OH:22])[cH:23][cH:24]1.[H-:1].[Na+:2].[Na:66].[OH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:25]1([C:26]([Cl:27])([O:28][c:29]2[cH:30][cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][cH:38]2)[CH2:39][CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:3]1([CH:4]([Br:5])[CH2:6][CH2:7][Cl:8])[cH:9][cH:10][cH:11][cH:12][cH:13]1.[c:46]1([CH:52]=[CH:53][CH2:54][O:55][c:56]2[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][cH:61]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:74]1([CH:75]([Br:76])[CH2:77][CH2:78][O:79][C:80](=[O:81])[CH3:82])[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:46]1([CH:52]=[CH:53][CH2:54][O:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1