HRID2148152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC1(C)COC(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(Cl)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc(Cl)cc2)OC1

HCID91582252

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC(CSC2C(=O)N(c3ccc(Cl)cc3)C2c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc(Cl)cc2)OC1

HCID90900983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-972f2834ac94472ea074ac112092b787
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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