HRID306941

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

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

HCID2818126

未命名化合物

HCID13285357

2-(1H-Pyrrolo[2,3-b]pyridin-1-yl)ethan-1-ol

C9H10N2O

PRODUCTS

生成物

结构：O=C1SC(Cc2ccc(OCCn3ccc4cccnc43)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID23298299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72b487c064974a89af9f1da83aacaf3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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