Diethyl Ether → HCID 178439385, compound
Reaction equation
[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH:38]([CH3:39])([CH3:40])[CH:41]1[CH2:42][CH2:43][N:44]([CH2:47][CH2:48][NH2:49])[CH2:45][CH2:46]1.[OH:1][CH:2]1[CH:3]([n:10]2[c:11]3[n:12][c:13]([C:34](=[O:35])[O:36][CH3:37])[n:14][c:15]([NH:19][CH2:20][CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:16]3[n:17][cH:18]2)[O:4][CH:5]([CH2:8][OH:9])[CH:6]1[OH:7]>>[OH:1][CH:2]1[CH:3]([n:10]2[c:11]3[n:12][c:13]([C:34](=[O:35])[NH:49][CH2:48][CH2:47][N:44]4[CH2:43][CH2:42][CH:41]([CH:38]([CH3:39])[CH3:40])[CH2:46][CH2:45]4)[n:14][c:15]([NH:19][CH2:20][CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:16]3[n:17][cH:18]2)[O:4][CH:5]([CH2:8][OH:9])[CH:6]1[OH:7]Participants
4
Sources & evidence
- ORD record
- ord-271a9f91669a49c8b21afd5a63b714b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)