Water → N-{4-[(Dimethylamino)carbonyl]phenyl}-5-[(3,3-dimethylbutanoyl)amino]-1-(2-fluorobenzyl)-1H-indole-2-carboxamide

HRID 2162355Notes

Reaction equation

HRID 2162355 reaction equation
[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:24](=[O:25])[OH:26])[n:12]([CH2:16][c:17]3[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]3)[c:13]2[cH:14][cH:15]1)([CH3:27])[CH3:28].[NH2:59][c:60]1[cH:61][cH:62][c:63]([C:64](=[O:65])[N:66]([CH3:67])[CH3:68])[cH:69][cH:70]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1.[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>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:24](=[O:25])[NH:59][c:60]3[cH:61][cH:62][c:63]([C:64](=[O:65])[N:66]([CH3:67])[CH3:68])[cH:69][cH:70]3)[n:12]([CH2:16][c:17]3[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]3)[c:13]2[cH:14][cH:15]1)([CH3:27])[CH3:28]

Participants

8

Reactant 7

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 2355274-Amino-N,N-dimethylbenzamideHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 221446405-[(3,3-Dimethylbutanoyl)amino]-1-(2-fluorobenzyl)-1H-indole-2-carboxylic acid

Product 1

HCID 22144662N-{4-[(Dimethylamino)carbonyl]phenyl}-5-[(3,3-dimethylbutanoyl)amino]-1-(2-fluorobenzyl)-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-c8293aa0d08c4310b7c38d4d55e27a17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…