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Methanol → 2-[[2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

HRID 699304
Notes
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Reaction equation

HRID 699304 reaction equation
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([N:8]([CH3:9])[C:10]([c:11]1[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1)=[O:19])[CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][n:30][o:31]2)[cH:25][cH:26]1)=[O:32])[CH2:33][c:34]1[cH:35][nH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12)=[O:43].[CH3:45][OH:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:44]>>[O:2]=[C:3]([CH:4]([NH:5][C:6]([CH:7]([N:8]([CH3:9])[C:10]([c:11]1[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1)=[O:19])[CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][n:30][o:31]2)[cH:25][cH:26]1)=[O:32])[CH2:33][c:34]1[cH:35][nH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12)[OH:43]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 21460671methyl 2-[[2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Product 1

HCID 214606162-[[2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Sources & evidence

ORD record
ord-e19455dbb609489cb9d64e074f1866d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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