4-tert-Butylbenzoic acid → HCID 68455803, compound
Reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]1.[Cl:1][c:2]1[c:3]([O:16][CH2:17][CH3:18])[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]2)[cH:14][cH:15]1>>[Cl:1][c:2]1[c:3]([O:16][CH2:17][CH3:18])[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([NH:13][C:27]([c:26]3[cH:25][cH:24][c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:31][cH:30]3)=[O:28])[CH2:11][CH2:12]2)[cH:14][cH:15]1Participants
3
Sources & evidence
- ORD record
- ord-7e5bb460032c4656ae35a7a77f765d0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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