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

HRID 2133726Notes

Reaction equation

HRID 2133726 reaction equation
[CH3:25][C:26]([OH:27])=[O:28].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[NH2:38][CH2:39][c:40]1[cH:41][c:42]([CH2:46][n:47]2[n:48][c:49]([NH:57][S:58](=[O:59])(=[O:60])[c:61]3[s:62][c:63]([Cl:66])[cH:64][cH:65]3)[c:50]3[c:51]([F:56])[cH:52][cH:53][cH:54][c:55]23)[cH:43][cH:44][cH:45]1.[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:38][CH2:39][c:40]1[cH:41][c:42]([CH2:46][n:47]2[n:48][c:49]([NH:57][S:58](=[O:59])(=[O:60])[c:61]3[s:62][c:63]([Cl:66])[cH:64][cH:65]3)[c:50]3[c:51]([F:56])[cH:52][cH:53][cH:54][c:55]23)[cH:43][cH:44][cH:45]1

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 58054591N-(1-{[3-(Aminomethyl)phenyl]methyl}-4-fluoro-1H-indazol-3-yl)-5-chloro-2-thiophenesulfonamide

Product 1

HCID 58054387N-({3-[(3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-fluoro-1H-indazol-1-yl)methyl]phenyl}methyl)acetamide

Sources & evidence

ORD record
ord-7141e7b4dd8c4bd38721f1bc3663e09f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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