Hydrochloric Acid → 3,5-Dibromo-N-(2-methyl-3-phenyl-allyl)-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-benzamide

HRID 319170

Reaction equation

HRID 319170 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Br:11])[cH:10]1.[CH2:32]([N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH3:12][C:13]([CH2:14][NH:15][CH2:16][CH2:17][CH:18]1[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]1)=[CH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:60][C:61]#[N:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:31].[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:15]([CH2:14][C:13]([CH3:12])=[CH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:16][CH2:17][CH:18]2[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]2)[cH:8][c:9]([Br:11])[cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 12063Benzoic acid, 3,5-dibromo-HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 68680591(2-Methyl-3-phenyl-allyl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine

Product 1

HCID 686827233,5-Dibromo-N-(2-methyl-3-phenyl-allyl)-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-benzamide

Sources & evidence

ORD record
ord-f3141af794ff433294016cb21b0b7c47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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