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Chloride → 2-(2-1H-Indol-3-ylacetylamino)-4-methylpentanoic acid (4-dimethylamino-4-phenylcyclohexyl)amide

HRID 190435
Notes
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Reaction equation

HRID 190435 reaction equation
[CH3:18][O:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([N+:27]2([CH3:28])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:34]1.[CH3:1][N:2]([C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1)[CH3:16].[CH3:56][OH:57].[Cl-:17].[nH:35]1[cH:36][c:37]([CH2:44][C:45](=[O:46])[NH:47][CH:48]([CH2:49][CH:50]([CH3:51])[CH3:52])[C:53](=[O:54])[OH:55])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]12>>[CH3:1][N:2]([C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][CH:6]([NH:9][C:53]([CH:48]([NH:47][C:45]([CH2:44][c:37]2[cH:36][nH:35][c:43]3[c:38]2[cH:39][cH:40][cH:41][cH:42]3)=[O:46])[CH2:49][CH:50]([CH3:51])[CH3:52])=[O:54])[CH2:7][CH2:8]1)[CH3:16]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 312ChlorideHCID 887MethanolHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 3945661Indole-3-acetyl-L-leucineHCID 129862564-Dimethylamino-4-phenyl-cyclohexylamine

Product 1

HCID 9828222
2-(2-1H-Indol-3-ylacetylamino)-4-methylpentanoic acid (4-dimethylamino-4-phenylcyclohexyl)amide

Sources & evidence

ORD record
ord-fe2ca30dfa984ed889bc733d7858a250
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes