Dichloromethane → 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 673000Notes

Reaction equation

HRID 673000 reaction equation
[Br:1][c:2]1[c:3]([CH3:11])[c:4]([C:8](=[O:9])[OH:10])[nH:5][c:6]1[CH3:7].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH:45]([CH3:46])([CH3:47])[N:48]1[CH2:49][CH2:50][CH:51]([NH2:54])[CH2:52][CH2:53]1.[Cl:55][CH2:56][Cl:57].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[Br:1][c:2]1[c:3]([CH3:11])[c:4]([C:8](=[O:10])[NH:54][CH:51]2[CH2:50][CH2:49][N:48]([CH:45]([CH3:46])[CH3:47])[CH2:53][CH2:52]2)[nH:5][c:6]1[CH3:7]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 31633331-(Propan-2-yl)piperidin-4-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 215256154-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Product 1

HCID 867607844-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

Sources & evidence

ORD record
ord-77567f2e334a4ec2ad1fccc338b8bb85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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