Ethanol → HCID 178442871, compound
Reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[C:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])(=[O:56])[NH:57][CH:58]([CH2:59][SH:60])[C:61](=[O:62])[OH:63].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[O:23][S:24]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)(=[O:32])=[O:33].[CH3:68][CH2:69][OH:70].[CH:64]([Cl:65])([Cl:66])[Cl:67].[K+:38].[K+:39].[OH2:71]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[S:60][CH2:59][CH:58]([NH:57][C:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])=[O:56])[C:61](=[O:62])[OH:63]Participants
8
Sources & evidence
- ORD record
- ord-c23a244d838446298d525fe780e7f86d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…