Ethanol → HCID 18706904, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5]1.[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17]2[n:18]3[c:19]([c:20](-[c:27]4[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[cH:31][cH:32]4)[c:21]([CH2:25][CH3:26])[c:22]3[cH:23][cH:24]1)[c:41]([CH2:43][O:44][CH2:45][CH2:46][CH2:47][CH2:48][Cl:49])[cH:42]2.[CH3:50][CH2:51][OH:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[H-:6].[Na+:7].[OH2:58]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:48][CH2:47][CH2:46][CH2:45][O:44][CH2:43][c:41]2[c:19]3[n:18]4[c:17]([c:16]([O:15][CH2:8][c:9]5[cH:10][cH:11][cH:12][cH:13][cH:14]5)[cH:24][cH:23][c:22]4[c:21]([CH2:25][CH3:26])[c:20]3-[c:27]3[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31][cH:32]3)[cH:42]2)[CH2:5]1Participants
9
Sources & evidence
- ORD record
- ord-b0b623d1d44b40a9ac7961e63334f160
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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