2-Isopropylaniline → HCID 53632862, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:34][c:35]3[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]3)[c:17]([O:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[n:18][c:19]([N:21]3[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1.[CH:43]([CH3:44])([CH3:45])[c:46]1[c:47]([NH2:48])[cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:34][c:35]3[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]3)[c:17]([O:28][CH2:29][CH2:30][C:31](=[O:33])[NH:48][c:47]3[c:46]([CH:43]([CH3:44])[CH3:45])[cH:52][cH:51][cH:50][cH:49]3)[n:18][c:19]([N:21]3[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-205e783ec9a34a7a8a532ea4a4fe7857
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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