HRID1537141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69353

2,5-Dibromopyridine

C5H3Br2N

结构：CC1(C)OB(c2ccc(S(=O)(=O)c3ccccc3)cc2)OC1(C)C

HCID66582505

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：O=S(=O)(c1ccccc1)c1ccc(-c2ccc(Br)cn2)cc1

HCID66582347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-470218d737054f26af29b8a999d6c640
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:25][c:26]1[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:128][OH:129].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:13][cH:14]2)[O:24]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[K+:37].[K+:38].[OH2:130].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([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)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:9]1(-[c:26]2[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]2)[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:13][cH:14]1