Formic Acid → 4'-[(5-Hydroxy-4-hydroxymethyl-6-methyl-pyridin-3-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide
Reaction equation
[C:4]([CH3:5])([CH3:6])([CH3:7])[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[c:13](-[c:18]2[cH:19][cH:20][c:21]([NH:24][CH2:25][c:26]3[c:27]4[c:28]([c:29]([CH3:32])[n:30][cH:31]3)[O:33][C:34]([CH3:37])([CH3:38])[O:35][CH2:36]4)[cH:22][cH:23]2)[cH:14][cH:15][cH:16][cH:17]1.[CH:1]([OH:2])=[O:3].[OH2:39]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[c:13](-[c:18]2[cH:19][cH:20][c:21]([NH:24][CH2:25][c:26]3[c:27]([CH2:36][OH:35])[c:28]([OH:33])[c:29]([CH3:32])[n:30][cH:31]3)[cH:22][cH:23]2)[cH:14][cH:15][cH:16][cH:17]1Participants
4
Sources & evidence
- ORD record
- ord-f76c9af9de4f4202b4a5dd95d33dc3f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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