HRID118921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID21810

2-Amino-4-chloro-6-methylpyrimidine

C5H6ClN3

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1

HCID51354026

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(=O)Nc1nc2ccc(-c3cc(C)nc(N)n3)cc2s1

HCID57584920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d148dbecf1b843cead478a10fb0305be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:115]1[O:116][CH2:117][CH2:118][O:119][CH2:120]1.[CH3:10][C:11]1([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16][B:17]([c:18]2[cH:19][c:20]3[c:21]([n:22][c:23]([NH:25][C:26]([CH3:27])=[O:28])[s:24]3)[cH:29][cH:30]2)[O:31]1.[CH3:1][c:2]1[cH:3][c:4]([Cl:5])[n:6][c:7]([NH2:8])[n:9]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[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>>[CH3:1][c:2]1[cH:3][c:4](-[c:18]2[cH:19][c:20]3[c:21]([n:22][c:23]([NH:25][C:26]([CH3:27])=[O:28])[s:24]3)[cH:29][cH:30]2)[n:6][c:7]([NH2:8])[n:9]1