Water → 2,2,2-Trifluoro-N-(2-methoxyethyl)-N-[3-(2-{[5-methyl-4-(2-{[(3-methyl-1H-indol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydro-2-pyrazinyl]amino}ethyl)benzyl]acetamide

HRID 213702Notes

Reaction equation

HRID 213702 reaction equation
[CH3:12][O:13][CH2:14][CH2:15][N:16]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:23][c:24]1[cH:25][c:26]([CH2:27][CH2:28][NH:29][c:30]2[c:31](=[O:41])[n:32]([CH2:37][C:38](=[O:39])[OH:40])[c:33]([CH3:36])[cH:34][n:35]2)[cH:42][cH:43][cH:44]1.[CH3:45][N:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:52][c:53]1[cH:54][nH:55][c:56]2[cH:57][cH:58][c:59]([CH2:62][NH2:63])[cH:60][c:61]12.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[OH2:1].[OH:2][c:3]1[c:4]2[n:5][n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1>>[CH3:12][O:13][CH2:14][CH2:15][N:16]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:23][c:24]1[cH:25][c:26]([CH2:27][CH2:28][NH:29][c:30]2[c:31](=[O:41])[n:32]([CH2:37][C:38](=[O:39])[NH:63][CH2:62][c:59]3[cH:58][cH:57][c:56]4[nH:55][cH:54][c:53]([CH3:52])[c:61]4[cH:60]3)[c:33]([CH3:36])[cH:34][n:35]2)[cH:42][cH:43][cH:44]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 18470813(3-methyl-1H-indol-5-yl)methanamineHCID 184708942-[3-[(3-{[(2-methoxyethyl)(2,2,2-trifluoroacetyl)amino]methyl}phenethyl)amino]-6-methyl-2-oxo-1(2H)-pyrazinyl]acetic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 184709502,2,2-Trifluoro-N-(2-methoxyethyl)-N-[3-(2-{[5-methyl-4-(2-{[(3-methyl-1H-indol-5-yl)methyl]amino}-2-oxoethyl)-3-oxo-3,4-dihydro-2-pyrazinyl]amino}ethyl)benzyl]acetamide

Sources & evidence

ORD record
ord-4190d1698ecb4daea45525f698144ca8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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