HRID165661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID311

Citric Acid

C6H8O7

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

结构：CC(=O)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1

HCID58136786

未命名化合物

PRODUCTS

生成物

结构：O=C(CBr)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1

HCID58136912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7293382eff284a9d8d1b9e647d2a75ba
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

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