Hydrochloric Acid → N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide

HRID 1538141Notes

Reaction equation

HRID 1538141 reaction equation
[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[N:60]([C:61]([CH:62]([NH2:63])[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)=[O:70])[CH3:71].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH3:7][n:8]1[c:9]([C:36](=[O:37])[OH:38])[cH:10][c:11]2[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]3[c:21](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]12.[Cl:72][CH2:73][Cl:74].[ClH:50].[ClH:52].[K:6].[OH2:39].[OH2:51].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:7][n:8]1[c:9]([C:36](=[O:38])[NH:63][CH:62]([C:61]([N:60]([CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH3:71])=[O:70])[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:10][c:11]2[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]3[c:21](-[c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]12

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 5462222PotassiumHCID 22262712(RS)-N-benzyl-N-methyl-2-phenylglycinamideHCID 222627371-Methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylic acid

Product 1

HCID 22262705N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide

Sources & evidence

ORD record
ord-6b764b5ea5914c9381f8a6d65c8f9437
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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