1,2-Dichloroethane → 2-(4-fluorophenyl)-N-methyl-5-(3-(2-phenylpropan-2-ylcarbamoyl)phenyl)-1H-indole-3-carboxamide

HRID 2150865Notes

Reaction equation

HRID 2150865 reaction equation
[C:39]([CH3:40])([CH3:41])([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[NH2:48].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:73][CH2:74][CH2:75][Cl:76].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]3[cH:11][cH:12][c:13](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]4)[cH:14][c:15]3[c:16]2[C:17]([NH:18][CH3:19])=[O:20])[cH:6][cH:7]1.[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]3[cH:11][cH:12][c:13](-[c:21]4[cH:22][c:23]([C:24](=[O:26])[NH:48][C:39]([CH3:40])([CH3:41])[c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[cH:27][cH:28][cH:29]4)[cH:14][c:15]3[c:16]2[C:17]([NH:18][CH3:19])=[O:20])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 9886HexafluorophosphateHCID 68509CumylamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592338213-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-1H-indol-5-yl)benzoic acid

Product 1

HCID 592336602-(4-fluorophenyl)-N-methyl-5-(3-(2-phenylpropan-2-ylcarbamoyl)phenyl)-1H-indole-3-carboxamide

Sources & evidence

ORD record
ord-f5d42d9268584d6fb7cd9872e40fcc3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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