Hydrochloric Acid → 2-(3,5-Dimethylphenyl)-4-nitrobenzoic acid

HRID 195862

반응식

HRID 195862 반응식
[Br:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([N+:11](=[O:12])[O-:13])[cH:10]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:14][c:15]1[cH:16][c:17]([B:22]([OH:23])[OH:24])[cH:18][c:19]([CH3:21])[cH:20]1.[ClH:31].[Cs+:29].[Cs+:30].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[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>>[c:2]1(-[c:17]2[cH:16][c:15]([CH3:14])[cH:20][c:19]([CH3:21])[cH:18]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([N+:11](=[O:12])[O-:13])[cH:10]1

참가 물질

8

출처 및 근거

ORD 기록
ord-c2953bc8e0394c53ba885c8185736ea7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…