Benzoic acid, 4-amino-, 1,1-dimethylethyl ester → HCID 50991078, compound
Reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44]([c:45]1[cH:46][cH:47][c:48]([NH:51][C:52](=[O:53])[c:54]2[cH:55][cH:56][c:57]3[c:58]([cH:74]2)[N:59]([S:63](=[O:64])(=[O:65])[c:66]2[cH:67][c:68]([CH3:73])[cH:69][c:70]([CH3:72])[cH:71]2)[CH2:60][CH2:61][S:62]3)[cH:49][cH:50]1)=[O:75].[CH3:1][c:2]1[cH:3][c:4]([S:5]([N:6]2[c:7]3[cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14][c:15]3[S:16][CH2:17][CH2:18]2)(=[O:19])=[O:20])[cH:21][c:22]([CH3:23])[cH:24]1.[NH2:25][c:26]1[cH:27][cH:28][c:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37][cH:38]1>>[O:43]=[C:44]([c:45]1[cH:46][cH:47][c:48]([NH:51][C:52](=[O:53])[c:54]2[cH:55][cH:56][c:57]3[c:58]([cH:74]2)[N:59]([S:63](=[O:64])(=[O:65])[c:66]2[cH:67][c:68]([CH3:73])[cH:69][c:70]([CH3:72])[cH:71]2)[CH2:60][CH2:61][S:62]3)[cH:49][cH:50]1)[OH:75]Participants
4
Sources & evidence
- ORD record
- ord-fb188aaea4db49c7865bef9536d02078
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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