4-(Methylthio)phenylacetic acid → HCID 21962878, compound
Reaction equation
[CH3:18][S:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[OH:29])[cH:24][cH:25]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH:8]([CH2:12][NH2:13])[O:9][CH2:10][CH2:11]2)[cH:14][cH:15][c:16]1[Cl:17]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH:8]([CH2:12][NH:13][C:27]([CH2:26][c:23]3[cH:22][cH:21][c:20]([S:19][CH3:18])[cH:25][cH:24]3)=[O:28])[O:9][CH2:10][CH2:11]2)[cH:14][cH:15][c:16]1[Cl:17]Participants
3
Sources & evidence
- ORD record
- ord-bdcee33b5d5c4309b0c63c8fc74bcd5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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