Dimethylformamide → 1-(3-benzylimidazolidin-1-yl)-3-(5-chloro-1H-indol-3-yl)propan-1-one

HRID 192737Notes

Reaction equation

HRID 192737 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][N:10]([C:13]([O:15][C:14]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:11][CH2:12]1.[Cl:20][c:21]1[cH:22][c:23]2[c:24]([CH2:30][CH2:31][C:32]([OH:33])=[O:34])[cH:25][nH:26][c:27]2[cH:28][cH:29]1.[Cl:66][CH2:67][Cl:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:59][C:60]([C:61]([F:62])([F:63])[F:64])=[O:65].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][N:10]([C:13](=[O:15])[CH2:31][CH2:30][c:24]2[c:23]3[cH:22][c:21]([Cl:20])[cH:29][cH:28][c:27]3[nH:26][cH:25]2)[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 1857801H-Indole-3-propanoic acid, 5-chloro-HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11436961Tert-butyl 3-benzylimidazolidine-1-carboxylate

Product 1

HCID 668316861-(3-benzylimidazolidin-1-yl)-3-(5-chloro-1H-indol-3-yl)propan-1-one

Sources & evidence

ORD record
ord-5474b649a81f4f6390a3f3108c6dceb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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