Isopropanol → HCID 90733028, compound
Reaction equation
[CH:38]([OH:39])([CH3:40])[CH3:41].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]2[CH2:15][CH2:16][N:17]([CH:20]3[CH:21]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:22][CH2:23][CH2:24][CH2:25]3)[CH2:18][CH2:19]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]2[CH2:15][CH2:16][N:17]([CH:20]3[CH:21]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:22][CH2:23][CH2:24][CH2:25]3)[CH2:18][CH2:19]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-0b4109a958fb4c9abfda3f5c2da1072d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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