Acetic Acid → HCID 178480671, compound

HRID 156908Notes

Reaction equation

HRID 156908 reaction equation
[CH2:41]([OH:42])[CH3:43].[CH3:47][C:48](=[O:49])[OH:50].[Cl:44][CH2:45][Cl:46].[NH2:39][OH:40].[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25](=[NH:26])[NH:39][OH:40])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 787HydroxylamineHCID 6344DichloromethaneHCID 184125901-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-[2-(methanesulfonylaminocarbonyl)ethyl]amide

Product 1

HCID 178480671HCID 178480671, compound

Sources & evidence

ORD record
ord-e1a25d2b5c464bf3bb00c41fa4755fa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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