(2-(Methylthio)ethyl)amine → HCID 86654751, compound
Reaction equation
[CH3:36][S:37][CH2:38][CH2:39][NH2:40].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]2([C:30]([F:31])([F:32])[F:33])[CH2:14][C:15]([c:18]3[cH:19][cH:20][c:21]([C:27](=[O:28])[OH:29])[c:22]4[n:23]3[cH:24][cH:25][n:26]4)=[N:16][O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]2([C:30]([F:31])([F:32])[F:33])[CH2:14][C:15]([c:18]3[cH:19][cH:20][c:21]([C:27](=[O:28])[NH:40][CH2:39][CH2:38][S:37][CH3:36])[c:22]4[n:23]3[cH:24][cH:25][n:26]4)=[N:16][O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]Participants
3
Sources & evidence
- ORD record
- ord-83e98fc948b24da0bb86467d624194df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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