HRID162015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O

HCID57416040

N-Methyl-N-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-3-yl]methanesulfonamide

C12H22BN3O4S

HCID57416128

7-Bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

C7H6BrN3S

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：CSc1ncc2ccc(-c3cn(C)nc3N(C)S(C)(=O)=O)n2n1

HCID66711859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed56ee5af4cf45c2b390eae6931f5772
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([S:11][CH3:12])[n:9][n:10]12.[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:13][N:14]([S:15](=[O:16])(=[O:17])[CH3:18])[c:19]1[n:20][n:21]([CH3:33])[cH:22][c:23]1[B:24]1[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]1.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:23]2[c:19]([N:14]([CH3:13])[S:15](=[O:16])(=[O:17])[CH3:18])[n:20][n:21]([CH3:33])[cH:22]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([S:11][CH3:12])[n:9][n:10]12