Acetic Acid → HCID 59456019, compound

HRID 1150583Notes

Reaction equation

HRID 1150583 reaction equation
[CH3:65][C:66]([OH:67])=[O:68].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:9][n:10]2[n:11][c:12]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[c:13]3[c:14]([O:20][CH3:21])[c:15]([F:19])[cH:16][cH:17][c:18]23)[cH:6][cH:7][cH:8]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:9][n:10]2[n:11][c:12]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[c:13]3[c:14]([O:20][CH3:21])[c:15]([F:19])[cH:16][cH:17][c:18]23)[cH:6][cH:7][cH:8]1)[C:66]([CH3:65])=[O:67]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59455989N-[1-{[3-(Aminomethyl)phenyl]methyl}-5-fluoro-4-(methyloxy)-1H-indazol-3-yl]-5-chloro-2-thiophenesulfonamide

Product 1

HCID 59456019HCID 59456019, compound

Sources & evidence

ORD record
ord-831393c5868f414d9f12e50ad93353e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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