HRID1147585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID15149676

3-Chloro-5-methylpyrazin-2-amine

C5H6ClN3

HCID66747855

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

HCID66748755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79ed758ecc194cc5b4be7aa1cbfc3673
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[CH:10]1([O:16][c:17]2[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][n:22]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:1][c:2]1[c:3]([NH2:9])[n:4][cH:5][c:6]([CH3:8])[n:7]1.[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:20]2[cH:19][cH:18][c:17]([O:16][CH:10]3[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]3)[n:22][cH:21]2)[c:3]([NH2:9])[n:4][cH:5][c:6]([CH3:8])[n:7]1