1-Methoxy-2-propanol → HCID 46851548, compound
Reaction equation
[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[cH:14][c:15]([CH2:19][CH2:20][C:21]#[N:22])[cH:16][cH:17][cH:18]1.[CH3:41][O:42][CH2:43][CH:44]([OH:45])[CH3:46].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[O:23]1[CH2:24][CH2:25][N:26]([CH:29]2[CH2:30][CH2:31][c:32]3[c:33]([cH:36][c:37]([NH2:40])[cH:38][cH:39]3)[CH2:34][CH2:35]2)[CH2:27][CH2:28]1>>[c:4]1([NH:40][c:37]2[cH:36][c:33]3[c:32]([cH:39][cH:38]2)[CH2:31][CH2:30][CH:29]([N:26]2[CH2:25][CH2:24][O:23][CH2:28][CH2:27]2)[CH2:35][CH2:34]3)[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[cH:14][c:15]([CH2:19][CH2:20][C:21]#[N:22])[cH:16][cH:17][cH:18]1Participants
5
Sources & evidence
- ORD record
- ord-36f6b961331b4549abe19d0b44ee9987
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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