Ethanol → HCID 12822305, compound
Reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:47][CH2:48][OH:49].[CH3:54][OH:55].[CH3:56][OH:57].[CH:50]([OH:51])([CH3:52])[CH3:53].[CH:58]([Cl:59])([Cl:60])[Cl:61].[Cl:1][CH2:2][CH:3]1[C:4]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C:5](=[O:14])[N:6]([CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:7]1.[Cl:33][c:34]1[cH:35][cH:36][c:37]([C:40]2([OH:46])[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:38][cH:39]1.[K+:31].[K+:32]>>[CH2:2]([CH:3]1[C:4]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C:5](=[O:14])[N:6]([CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:7]1)[N:43]1[CH2:42][CH2:41][C:40]([c:37]2[cH:36][cH:35][c:34]([Cl:33])[cH:39][cH:38]2)([OH:46])[CH2:45][CH2:44]1Participants
9
Sources & evidence
- ORD record
- ord-55389f676d55478e824c01d51e029834
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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