HRID126142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID11983371

2-(1-Benzothiophen-5-yl)ethan-1-ol

C10H10OS

结构：ClCCCN1CC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID21990097

未命名化合物

PRODUCTS

生成物

结构：c1ccc(C(OC2CN(CCCOCCc3ccc4sccc4c3)C2)(c2ccccc2)c2ccccc2)cc1

HCID21990054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90743830117b45cbbb1d8a6819ab8fc2
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

[Br-:57].[C:15]([OH:16])(=[O:17])[C:18]([OH:19])=[O:20].[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:21][CH2:22][CH2:23][CH2:24][N:25]1[CH2:26][CH:27]([O:29][C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:28]1.[Na+:2].[OH-:1].[OH2:49].[s:3]1[cH:4][cH:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([CH2:12][CH2:13][OH:14])[cH:11]2>>[s:3]1[cH:4][cH:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([CH2:12][CH2:13][O:14][CH2:22][CH2:23][CH2:24][N:25]1[CH2:26][CH:27]([O:29][C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:28]1)[cH:11]2