4-(Methylthio)benzoic acid → HCID 16068159, compound
Reaction equation
[CH3:12][S:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1.[N:1]12[CH2:2][CH:3]3[CH:4]([NH2:11])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2>>[N:1]12[CH2:2][CH:3]3[CH:4]([NH:11][C:18]([c:17]4[cH:16][cH:15][c:14]([S:13][CH3:12])[cH:22][cH:21]4)=[O:19])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2Participants
3
Sources & evidence
- ORD record
- ord-3e9c7ec9c6714f72bcc7bc9762c27945
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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