Hydrochloric Acid → 2-[[3-cyano-5-(1H-indazol-4-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]-3-[(3,5-dihydroxybenzoyl)amino]propanoic acid
Reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][c:10]([OH:15])[cH:11][c:12]([OH:14])[cH:13]1)=[O:16])[NH:17][C:18](=[O:19])[c:20]1[s:21][c:22]([C:27]([NH:28][CH2:29][c:30]2[c:31]3[cH:32][n:33][nH:34][c:35]3[cH:36][cH:37][cH:38]2)=[O:39])[cH:23][c:24]1[C:25]#[N:26])=[O:40].[ClH:44].[Li+:43].[OH-:42].[OH2:41].[OH2:50]>>[O:2]=[C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][c:10]([OH:15])[cH:11][c:12]([OH:14])[cH:13]1)=[O:16])[NH:17][C:18](=[O:19])[c:20]1[s:21][c:22]([C:27]([NH:28][CH2:29][c:30]2[c:31]3[cH:32][n:33][nH:34][c:35]3[cH:36][cH:37][cH:38]2)=[O:39])[cH:23][c:24]1[C:25]#[N:26])[OH:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-63801fd31e8746d78ec5b2efc1032e8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…