HRID1144301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7520

Benzene, (methylthio)-

C7H8S

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：COCCOc1cc(N(C)S(=O)(=O)c2nccn2C)c2[nH]c(C(=O)NCC(SCc3ccccc3)C(OC)OC)cc2c1

HCID59135861

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(N(C)S(=O)(=O)c2nccn2C)c2[nH]c(C3=NCC(C(OC)OC)S3)cc2c1

HCID59135952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bceadec7642640d197360ab23e9da974
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

[CH2:36]([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[n:68]([CH3:72])[cH:69][cH:70][n:71]3)[CH3:73])[cH:53][c:54]([O:58][CH2:59][CH2:60][O:61][CH3:62])[cH:55][c:56]2[cH:57]1)[CH:74]([O:75][CH3:76])[O:77][CH3:78].[Cl:87][CH2:88][Cl:89].[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].[OH2:90].[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.[c:79]1([S:80][CH3:81])[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[S:43]1[CH:44]([CH:74]([O:75][CH3:76])[O:77][CH3:78])[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[n:68]([CH3:72])[cH:69][cH:70][n:71]3)[CH3:73])[cH:53][c:54]([O:58][CH2:59][CH2:60][O:61][CH3:62])[cH:55][c:56]2[cH:57]1