Ethanol → HCID 178431500, compound
Reaction equation
[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]2)[O:41]1.[CH3:48][CH2:49][CH2:50][CH:51]([CH3:52])[CH3:53].[CH3:54][CH2:55][OH:56].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[Cl:1][c:2]1[n:3][c:4]([N:19]2[CH:20]([CH3:25])[CH2:21][O:22][CH2:23][CH2:24]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[n:7]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:68]>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]2)[n:3][c:4]([N:19]2[CH:20]([CH3:25])[CH2:21][O:22][CH2:23][CH2:24]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[n:7]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-f1e0f2d8475e4b2986556e69cb711b8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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