Acetic Acid → N-({3-[(3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)acetamide

HRID 1204706Notes

Reaction equation

HRID 1204706 reaction equation
[CH3:25][C:26]([OH:27])=[O:28].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH:38]([OH:39])=[O:40].[NH2:41][CH2:42][c:43]1[cH:44][c:45]([CH2:49][n:50]2[n:51][c:52]([NH:60][S:61](=[O:62])(=[O:63])[c:64]3[s:65][c:66]([Cl:69])[cH:67][cH:68]3)[c:53]3[c:54]([OH:59])[cH:55][cH:56][cH:57][c:58]23)[cH:46][cH:47][cH:48]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:25][C:26](=[O:28])[NH:41][CH2:42][c:43]1[cH:44][c:45]([CH2:49][n:50]2[n:51][c:52]([NH:60][S:61](=[O:62])(=[O:63])[c:64]3[s:65][c:66]([Cl:69])[cH:67][cH:68]3)[c:53]3[c:54]([OH:59])[cH:55][cH:56][cH:57][c:58]23)[cH:46][cH:47][cH:48]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 284Formic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 136116030HCID 136116030, compound

Product 1

HCID 136116031N-({3-[(3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)acetamide

Sources & evidence

ORD record
ord-6f9fd104bbab468ca7b623b0f74e44b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…