Acetic Acid → HCID 72297438, compound

HRID 1240744Notes

Reaction equation

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

Participants

Reactant 3

HCID 176Acetic Acid

HCID 67184N-bromobutanimide

HCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 72297438HCID 72297438, compound

Sources & evidence

ORD record: ord-3df7915ebf1e4d2e8ce64b6215df7b13
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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