Acetic Acid → HCID 16035071, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][CH:25]=[O:26])[cH:6][cH:7]1.[C:46]([BH3-:47])#[N:48].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][OH:51].[ClH:27].[NH2:28][CH2:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([OH:41])[c:35]2[nH:36][c:37](=[O:40])[s:38][c:39]12.[Na+:49].[OH2:52]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][CH2:25][NH:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([OH:41])[c:35]3[nH:36][c:37](=[O:40])[s:38][c:39]23)[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-60841f35b1f848649b3ce0996693bcb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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