HRID162692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID250449

6-chloro-5-nitropyrimidine-2,4-diamine

C4H4ClN5O2

HCID2734372

5-Methylfuran-2-boronic acid

C5H7BO3

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：Cc1ccc(-c2nc(N)nc(N)c2[N+](=O)[O-])o1

HCID21874530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfcbfbab53bd4bb09b7005117b57af9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:18][c:19]1[cH:20][cH:21][c:22]([B:24]([OH:25])[OH:26])[o:23]1.[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[Cl:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[c:4]([NH2:9])[n:5][c:6]([NH2:8])[n:7]1.[Na+:17].[O-:13][C:14]([OH:15])=[O:16].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[cH:114][cH:115]1>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([CH3:18])[o:23]2)[c:3]([N+:10](=[O:11])[O-:12])[c:4]([NH2:9])[n:5][c:6]([NH2:8])[n:7]1