Benzoic acid, 4-amino-, 1,1-dimethylethyl ester → HCID 86761902, compound
Reaction equation
[NH2:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:47][cH:48]1.[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][O:21][CH2:22][CH2:23][CH:24]=[O:25])=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][O:21][CH2:22][CH2:23][CH2:24][NH:35][c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:47][cH:48]3)=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-954a2f5fe3154f1ab874f87aefd2daed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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