Ethanol → HCID 22329144, compound
Reaction equation
[B:1]([O-:2])([O-:16])[O:17][c:3]1[cH:4][c:5]([F:15])[c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH3:14])[cH:7][cH:8]1.[Br:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:49]1)[CH:24]=[C:25]([C:31](=[O:32])[NH:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[CH3:48])[cH:38][cH:39]1)[CH2:26][CH2:27][N:28]2[CH:29]=[O:30].[C:50](=[O:51])([O-:52])[O-:53].[CH2:63]([OH:64])[CH3:65].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[K+:54].[K+:55].[OH2:66].[c:56]1([CH3:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:3]1(-[c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:49]2)[CH:24]=[C:25]([C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)[CH3:48])[cH:38][cH:39]2)[CH2:26][CH2:27][N:28]3[CH:29]=[O:30])[cH:4][c:5]([F:15])[c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH3:14])[cH:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-d19891179a2a41979750dc0a0d4e3897
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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