Acetonitrile → [2-Chloro-4-[2-(3-hydroxyprop-1-enyl)anilino]phenyl]-(2-methylphenyl)methanone
Reaction equation
[CH2:25]([Sn:26]([CH2:27][CH2:28][CH2:29][CH3:34])([CH:30]=[CH:31][CH2:32][OH:33])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[c:3]([C:16](=[O:17])[c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([Br:15])[cH:11][cH:12][cH:13][cH:14]2)[cH:7]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:51].[Pd:52]>>[Cl:1][c:2]1[c:3]([C:16](=[O:17])[c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([CH:30]=[CH:31][CH2:32][OH:33])[cH:11][cH:12][cH:13][cH:14]2)[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-93c82cbe1e934687b9ddf278d57af152
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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