HRID1217153

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

HCID10773651

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc2c1nc(COc1ccc(CC3SC(=O)N(C(c4ccccc4)(c4ccccc4)c4ccccc4)C3=O)cc1)n2C

HCID10699153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d02453d5030143d88bc84fbff4661530
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

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