Ethanol → HCID 18706963, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[c:18]2[n:19]3[c:20]([c:21](-[c:28]4[cH:29][cH:30][c:31]([O:34][CH2:35][c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[cH:32][cH:33]4)[c:22]([CH2:26][CH3:27])[c:23]3[cH:24][cH:25]1)[c:42]([CH2:44][O:45][CH2:46][CH2:47][CH2:48][CH2:49][Cl:50])[cH:43]2.[CH3:51][CH2:52][OH:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[H-:7].[Na+:8].[OH2:59]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:49][CH2:48][CH2:47][CH2:46][O:45][CH2:44][c:42]2[c:20]3[n:19]4[c:18]([c:17]([O:16][CH2:9][c:10]5[cH:11][cH:12][cH:13][cH:14][cH:15]5)[cH:25][cH:24][c:23]4[c:22]([CH2:26][CH3:27])[c:21]3-[c:28]3[cH:29][cH:30][c:31]([O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33]3)[cH:43]2)[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-8fd2d2bf0a9d4dc3bdcd8698c729fb63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…