2-Chloroethanol → HCID 86745333, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([I:35])[c:7]([C:24](=[O:25])[NH:26][CH2:27][CH:28]([OH:29])[CH2:30][CH:31]([CH2:32][OH:33])[OH:34])[c:8]([I:23])[c:9]([C:10](=[O:11])[NH:12][CH2:13][CH:14]([OH:15])[CH2:16][CH:17]([CH2:18][OH:19])[OH:20])[c:21]1[I:22].[Na+:46].[OH-:45].[OH:36][CH2:37][CH2:38][Cl:39].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([I:35])[c:7]([C:24](=[O:25])[NH:26][CH2:27][CH:28]([OH:29])[CH2:30][CH:31]([CH2:32][OH:33])[OH:34])[c:8]([I:23])[c:9]([C:10](=[O:11])[NH:12][CH2:13][CH:14]([OH:15])[CH2:16][CH:17]([CH2:18][OH:19])[OH:20])[c:21]1[I:22])[CH2:38][CH2:37][OH:36]Participants
6
Sources & evidence
- ORD record
- ord-ce4bb79095554f5cb6669a49c3152df9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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