HRID1202912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7406

Cumene

C9H12

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID2776215

1-(Benzenesulfonyl)-3-bromo-1H-indole

C14H10BrNO2S

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：CC(C)c1ccccc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

HCID67242060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-286143d96a314adfa988261172327137
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

[BH:20]([OH:21])[OH:22].[Br:1][c:2]1[cH:3][n:4]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH2:116]([OH:117])[CH3:118].[CH:23]([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:115].[c:119]1([CH3:120])[cH:121][cH:122][cH:123][cH:124][cH:125]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:27]2[c:26]([CH:23]([CH3:24])[CH3:25])[cH:31][cH:30][cH:29][cH:28]2)[cH:3][n:4]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12