Benzylamine → Tirbanibulin
Reaction equation
[F:51][c:52]1[n:53][cH:54][c:55](-[c:56]2[cH:57][cH:58][c:59]([O:60][CH2:61][CH2:62][N:63]3[CH2:64][CH2:65][O:66][CH2:67][CH2:68]3)[cH:69][cH:70]2)[cH:71][cH:72]1.[NH2:73][CH2:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:5][CH2:6][O:7][c:8]2[cH:9][cH:10][c:11](-[c:12]3[cH:13][cH:14][c:15]([CH2:16][C:17]#[N:18])[n:19][cH:20]3)[cH:21][cH:22]2)[CH2:23][CH2:24]1.[O:25]1[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][O:33][c:34]2[cH:35][cH:36][c:37](-[c:40]3[cH:41][cH:42][c:43]([CH2:46][C:47](=[O:48])[O:49][CH3:50])[n:44][cH:45]3)[cH:38][cH:39]2)[CH2:29][CH2:30]1>>[O:25]1[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][O:33][c:34]2[cH:35][cH:36][c:37](-[c:40]3[cH:41][cH:42][c:43]([CH2:46][C:47](=[O:48])[NH:73][CH2:74][c:75]4[cH:76][cH:77][cH:78][cH:79][cH:80]4)[n:44][cH:45]3)[cH:38][cH:39]2)[CH2:29][CH2:30]1Participants
5
Sources & evidence
- ORD record
- ord-5f7d094b03dc4708a31bd8e2bc951525
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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