HRID138819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID2795540

imidazo[1,2-a]pyridin-2-ylmethanol

C8H8N2O

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

HCID2818126

未命名化合物

PRODUCTS

生成物

结构：O=C1SC(Cc2ccc(OCc3cn4ccccc4n3)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID10769820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89961b5c4324465cb0d05302e5c524ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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