Hydrochloric Acid → 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy] isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

HRID 2141664Notes

Reaction equation

HRID 2141664 reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:24][C:25]1([c:28]2[cH:29][c:30]([NH:40][C:41](=[O:42])[NH:43][c:44]3[cH:45][n:46][c:47]([O:54][CH:55]4[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]4)[c:48]4[cH:49][cH:50][cH:51][cH:52][c:53]34)[n:31](-[c:33]3[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]3)[n:32]2)[CH2:26][CH2:27]1.[CH3:61][C:62]1([C:65](=[O:66])[OH:67])[CH2:63][CH2:64]1.[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:77][CH2:78][Cl:79].[ClH:22].[ClH:23].[OH:12][n:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[n:20][n:21]1>>[CH3:24][C:25]1([c:28]2[cH:29][c:30]([NH:40][C:41](=[O:42])[NH:43][c:44]3[cH:45][n:46][c:47]([O:54][CH:55]4[CH2:56][CH2:57][N:58]([C:65]([C:62]5([CH3:61])[CH2:63][CH2:64]5)=[O:66])[CH2:59][CH2:60]4)[c:48]4[cH:49][cH:50][cH:51][cH:52][c:53]34)[n:31](-[c:33]3[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]3)[n:32]2)[CH2:26][CH2:27]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 813261-Methylcyclopropanecarboxylic acidHCID 81531DiisopropylethylamineHCID 578328171-[3-(1-Methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(1-piperidin-4-yloxyisoquinolin-4-yl)urea

Product 1

HCID 160614691-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy] isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

Sources & evidence

ORD record
ord-bd1f73e16d45412782d2b97a70ae25b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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