Toluene → 3-[(4-Fluorophenyl)ethynyl]aniline
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:84][CH2:85][N:86]([CH2:87][CH3:88])[CH2:89][CH3:90].[I-:37].[NH2:9][c:10]1[cH:11][c:12]([C:16]#[CH:17])[cH:13][cH:14][cH:15]1.[Pd:45].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1([C:17]#[C:16][c:12]2[cH:11][c:10]([NH2:9])[cH:15][cH:14][cH:13]2)[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-0c7facb89df740298e0390cea30a0e1a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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