HRID1200786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1

HCID59380135

未命名化合物

HCID76561900

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1cc(CS(C)(=O)=O)nc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s2)n1

HCID178431547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e765a771c0654292a98283bbba18c066
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]1[s:17][c:18]([Sn:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33])[cH:19][n:20]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:34][c:35]1[n:36][c:37]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:38][c:39]([N:41]2[CH:42]([CH3:47])[CH2:43][O:44][CH2:45][CH2:46]2)[n:40]1.[Pd:136].[c:117]1([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]1[s:17][c:18](-[c:35]2[n:36][c:37]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:38][c:39]([N:41]3[CH:42]([CH3:47])[CH2:43][O:44][CH2:45][CH2:46]3)[n:40]2)[cH:19][n:20]1