HRID677390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

3 次

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC1(C)COC(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(F)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc3c(c2)OCO3)OC1

HCID91048653

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC(CSC2C(=O)N(c3ccc(F)cc3)C2c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc3c(c2)OCO3)OC1

HCID91112181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9999d6b8d2394cbd80d4e5724e9a1726
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

[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[F-:62].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH:20]([CH:21]([NH:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]3)[C:45]([N:46]3[CH:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[CH2:54][O:55][C:56]3=[O:57])=[O:58])[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2.[OH2:59].[OH2:60].[OH2:61]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH:20]3[CH:21]([c:30]4[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]4)[N:22]([c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[C:45]3=[O:58])[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2