Hydrochloric Acid → 8-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-N-(2-amino-4-fluorophenyl)octanamide

HRID 2148628Notes

Reaction equation

HRID 2148628 reaction equation
[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[ClH:35].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[N:12][N:13]=[CH:14][c:15]1[c:16]([CH3:34])[c:17]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[c:18]([CH3:20])[nH:19]1.[F:64][c:65]1[cH:66][c:67]([NH2:72])[c:68]([NH2:71])[cH:69][cH:70]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:47][c:48]1[c:49]2[n:50][n:51][nH:52][c:53]2[cH:54][cH:55][cH:56]1>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[N:12][N:13]=[CH:14][c:15]1[c:16]([CH3:34])[c:17]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:33])[NH:71][c:68]2[c:67]([NH2:72])[cH:66][c:65]([F:64])[cH:70][cH:69]2)[c:18]([CH3:20])[nH:19]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 1645844-Fluorobenzene-1,2-diamineHCID 1363879728-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-octanoic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 1363879748-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-N-(2-amino-4-fluorophenyl)octanamide

Sources & evidence

ORD record
ord-69774f4dabd24517b84678d96a96df30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…