Dichloromethane → 5-phenyl-1H-pyrrole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 2346919Notes

Reaction equation

HRID 2346919 reaction equation
[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH2:10])[CH2:8][CH2:9]1.[Cl:58][CH2:59][Cl:60].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[c:44]1(-[c:50]2[cH:51][cH:52][c:53]([C:55](=[O:56])[OH:57])[nH:54]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:55]([c:53]2[cH:52][cH:51][c:50](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[nH:54]2)=[O:56])[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2261995-phenyl-1H-pyrrole-2-carboxylic acidHCID 31633331-(Propan-2-yl)piperidin-4-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 866110375-phenyl-1H-pyrrole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

Sources & evidence

ORD record
ord-bc24975e8e1c4b48bd2f6dfe53396759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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