Hydrochloric Acid → 2-(7-Cyano-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]ethyl}acetamide

HRID 2320052Notes

Reaction equation

HRID 2320052 reaction equation
[C:17](#[N:18])[c:19]1[cH:20][cH:21][cH:22][c:23]2[c:24]1[n:25]([CH2:28][C:29](=[O:30])[OH:31])[cH:26][n:27]2.[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([F:16])[c:8]([C:11]([C:12]#[N:13])([CH3:14])[CH3:15])[cH:9][cH:10]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([F:16])[c:8]([C:11]([C:12]#[N:13])([CH3:14])[CH3:15])[cH:9][cH:10]1)[C:29]([CH2:28][n:25]1[c:24]2[c:19]([C:17]#[N:18])[cH:20][cH:21][cH:22][c:23]2[n:27][cH:26]1)=[O:30]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11195002(7-Cyano-1H-benzimidazol-1-yl)acetic acidHCID 582984652-[4-(1-Aminoethyl)-2-fluorophenyl]-2-methylpropanenitrile

Product 1

HCID 598042632-(7-Cyano-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]ethyl}acetamide

Sources & evidence

ORD record
ord-73727dec24244840b17ff80805872228
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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