Acetic Acid → Acetic Acid

HRID 178600Notes

Reaction equation

HRID 178600 reaction equation
[C:1]([CH3:2])(=[O:3])[OH:4].[CH3:42][O:43][C:44](=[O:45])[N:46]=[C:47]([S:48][CH3:49])[C:50]([c:51]1[cH:52][c:53]([O:54][CH3:55])[cH:56][c:57]([OH:58])[cH:59]1)=[N:60][c:61]1[cH:62][cH:63][c:64](-[c:65]2[n:66][c:67]([CH3:68])[o:69][n:70]2)[cH:71][cH:72]1.[NH2:5][c:6]1[c:7](-[n:12]2[n:13][c:14]([CH:18]([c:19]3[c:20]([F:31])[c:21]([O:27][CH2:28][CH2:29][OH:30])[cH:22][c:23]([O:25][CH3:26])[cH:24]3)[NH:32][c:33]3[cH:34][cH:35][c:36]([C:37](=[NH:38])[NH2:39])[cH:40][cH:41]3)[nH:15][c:16]2=[O:17])[n:8][cH:9][cH:10][cH:11]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[NH2:5][c:6]1[c:7](-[n:12]2[n:13][c:14]([CH:18]([c:19]3[cH:20][c:21]([O:27][CH2:28][CH2:29][OH:30])[cH:22][c:23]([O:25][CH3:26])[cH:24]3)[NH:32][c:33]3[cH:34][cH:35][c:36]([C:37](=[NH:38])[NH2:39])[cH:40][cH:41]3)[nH:15][c:16]2=[O:17])[n:8][cH:9][cH:10][cH:11]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 72312820{2-(3-Hydroxy-5-methoxyphenyl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene}carbamic acid methyl esterHCID 1359820584-[[[1-(3-amino-2-pyridinyl)-5-oxo-4H-1,2,4-triazol-3-yl]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]amino]benzenecarboximidamide

Product 2

HCID 176Acetic AcidHCID 1359820494-[[[1-(3-amino-2-pyridinyl)-5-oxo-4H-1,2,4-triazol-3-yl]-[3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]amino]benzenecarboximidamide

Sources & evidence

ORD record
ord-d3c5318b6d7c4a4bacdf66e4ad6f32d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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