Isopropanol → HCID 9808357, compound
Reaction equation
[CH:44]([OH:45])([CH3:46])[CH3:47].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][C:8]([CH:9]([CH2:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][CH2:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[CH2:5][CH2:6]1.[O:29]1[CH:30]([CH2:32][O:33][c:34]2[c:35]3[cH:36][cH:37][cH:38][n:39][c:40]3[cH:41][cH:42][cH:43]2)[CH2:31]1>>[N:1]1([CH2:31][CH:30]([OH:29])[CH2:32][O:33][c:34]2[c:35]3[cH:36][cH:37][cH:38][n:39][c:40]3[cH:41][cH:42][cH:43]2)[CH2:2][CH2:3][CH:4]([NH:7][C:8]([CH:9]([CH2:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][CH2:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-922faf3aef244d61a9fb460c638a5487
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…