HRID2326826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

结构：O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID2818126

未命名化合物

HCID10560253

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2nc(COc3ccc(CC4SC(=O)N(C(c5ccccc5)(c5ccccc5)c5ccccc5)C4=O)cc3)n(C)c2n1

HCID10556257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0242509d23984f57b2e79b5c7d614596
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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