HRID1235288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID75555

未命名化合物

HCID53427514

未命名化合物

结构：Cc1ccc(S(=O)(=O)n2c(C)nc3c(O)cc(C(=O)N(C)C)cc32)cc1

HCID67220315

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2c(C)nc3c(OC4CCOc5cc(F)cc(F)c54)cc(C(=O)N(C)C)cc32)cc1

HCID68574644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7236a2c21ad4f1daa849c3555896717
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

[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[F:27][c:28]1[c:29]2[c:34]([cH:35][c:36]([F:38])[cH:37]1)[O:33][CH2:32][CH2:31][CH:30]2[OH:39].[O:59]=[C:60]([O:61][CH:62]([CH3:63])[CH3:64])[N:65]=[N:66][C:67]([O:68][CH:69]([CH3:70])[CH3:71])=[O:72].[OH:1][c:2]1[cH:3][c:4]([C:22](=[O:23])[N:24]([CH3:25])[CH3:26])[cH:5][c:6]2[n:7]([S:12](=[O:13])(=[O:14])[c:15]3[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[c:8]([CH3:11])[n:9][c:10]12.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:73]1([P:74](=[O:75])([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[O:1]([c:2]1[cH:3][c:4]([C:22](=[O:23])[N:24]([CH3:25])[CH3:26])[cH:5][c:6]2[n:7]([S:12](=[O:13])(=[O:14])[c:15]3[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[c:8]([CH3:11])[n:9][c:10]12)[CH:30]1[c:29]2[c:28]([F:27])[cH:37][c:36]([F:38])[cH:35][c:34]2[O:33][CH2:32][CH2:31]1