HRID96843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：CN(c1cc(OC(F)(F)F)cc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135860

未命名化合物

PRODUCTS

生成物

结构：CN(c1cc(OC(F)(F)F)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba4978e36b2940afad2a8f15032a7003
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

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