Acetic Acid → HCID 16035070, compound
Reaction equation
[C:51]([BH3-:52])#[N:53].[CH3:47][C:48](=[O:49])[OH:50].[CH3:55][OH:56].[ClH:32].[NH2:33][CH2:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([OH:46])[c:40]2[nH:41][c:42](=[O:45])[s:43][c:44]12.[Na+:54].[O:1]=[CH:2][CH2:3][N:4]([C:5]([CH2:6][CH2:7][O:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:57]>>[CH2:2]([CH2:3][N:4]([C:5]([CH2:6][CH2:7][O:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[NH:33][CH2:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([OH:46])[c:40]2[nH:41][c:42](=[O:45])[s:43][c:44]12Participants
9
Sources & evidence
- ORD record
- ord-55fb92e0ea3d40d99310c752479d1e69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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