HRID2130671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID140539

Isoquinoline, 1-chloro-

C9H6ClN

HCID22348454

(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid

C15H15BO2

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：CC1(C)c2ccccc2-c2ccc(-c3nccc4ccccc34)cc21

HCID17859883

1-(9,9-Dimethyl-9H-fluoren-2-yl)isoquinoline

C24H19N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5528206f06a24a2db8df1d79b8c2b0bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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