HRID1225468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID9256

Thiazole

C3H3NS

HCID31374

Dimethylacetamide

C4H9NO

HCID15953802

5-[5-Iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine

C14H17IN4O2

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：COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cncs1

HCID57329357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1041aa428ef4a408609a4956607e14e
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

[CH3:23][C:24](=[O:25])[O-:26].[CH3:32][N:33]([CH3:34])[C:35](=[O:36])[CH3:37].[I:1][c:2]1[c:3]([O:20][CH3:21])[cH:4][c:5]([CH:17]([CH3:18])[CH3:19])[c:6]([O:7][c:8]2[c:9]([NH2:15])[n:10][c:11]([NH2:14])[n:12][cH:13]2)[cH:16]1.[K+:22].[cH:27]1[cH:28][s:29][cH:30][n:31]1.[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>>[c:2]1(-[c:28]2[cH:27][n:31][cH:30][s:29]2)[c:3]([O:20][CH3:21])[cH:4][c:5]([CH:17]([CH3:18])[CH3:19])[c:6]([O:7][c:8]2[c:9]([NH2:15])[n:10][c:11]([NH2:14])[n:12][cH:13]2)[cH:16]1