HRID1148137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8075

Ethanol, 2-(ethylthio)-

C4H10OS

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

结构：CCOC(=O)CCc1ccc(N(C2CCc3c(-c4c(C)cc(O)cc4C)cccc32)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F

HCID23157316

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(N(C2CCc3c(-c4c(C)cc(OCCSCC)cc4C)cccc32)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F

HCID23157179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df2578632e054d8396f8993a1f26ce74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:46]([CH3:47])[S:48][CH2:49][CH2:50][OH:51].[CH2:52]([P:53]([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH:88]([O:89][CH:90]([CH3:91])[CH3:92])([CH3:93])[CH3:94].[F:1][c:2]1[c:3]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH:21]2[CH2:22][CH2:23][c:24]3[c:25](-[c:30]4[c:31]([CH3:38])[cH:32][c:33]([OH:37])[cH:34][c:35]4[CH3:36])[cH:26][cH:27][cH:28][c:29]32)[cH:7]1.[N:65]([C:66]([N:67]1[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1)=[O:73])=[N:74][C:75]([N:76]1[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1)=[O:82].[O:83]1[CH2:84][CH2:85][CH2:86][CH2:87]1>>[F:1][c:2]1[c:3]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH:21]2[CH2:22][CH2:23][c:24]3[c:25](-[c:30]4[c:31]([CH3:38])[cH:32][c:33]([O:37][CH2:50][CH2:49][S:48][CH2:46][CH3:47])[cH:34][c:35]4[CH3:36])[cH:26][cH:27][cH:28][c:29]32)[cH:7]1