HRID937605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

结构：C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2CCC(C)C

HCID59299578

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21

HCID59299530

8-Chloro-3,9-dihydro-3-(3-methylbutyl)-1H-purine-2,6-dione

C10H13ClN4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23682c5df1034518a65c78340365d9a3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:21]1[NH:22][CH2:23][CH2:24][O:25][CH2:26]1.[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:28][CH2:29][O:30][CH2:31][CH3:32].[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[n:10]1[CH2:11][CH:12]=[CH2:13].[ClH:27].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[nH:10]1