2,5-Dichlorobenzoic acid → HCID 21110330, compound
Reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][cH:10]1.[NH2:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26]1.[S:34]([Cl:35])([Cl:36])=[O:37]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[cH:7][c:8]([Cl:11])[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-755a4de7369a45b9b068851ecc7efc65
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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