Hydrochloric Acid → 2-(3-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamide

HRID 214282Notes

Reaction equation

HRID 214282 reaction equation
[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH3:63][N:64]([CH3:65])[C:66](=[O:67])[CH3:68].[CH3:70][C:71]#[N:72].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([NH:32][c:33]3[n:34][nH:35][c:36]([CH2:38][C:39](=[O:40])[OH:41])[cH:37]3)[n:27][cH:28][n:29][c:30]2[cH:31]1.[ClH:16].[ClH:42].[NH2:8][c:9]1[cH:10][cH:11][cH:12][c:13]([F:14])[cH:15]1.[OH2:69]>>[NH:8]([c:9]1[cH:10][cH:11][cH:12][c:13]([F:14])[cH:15]1)[C:39]([CH2:38][c:36]1[nH:35][n:34][c:33]([NH:32][c:26]2[c:25]3[cH:24][cH:23][c:22]([O:21][CH2:20][CH2:19][CH2:18][Cl:17])[cH:31][c:30]3[n:29][cH:28][n:27]2)[cH:37]1)=[O:40]

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 97423-FluoroanilineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 31374DimethylacetamideHCID 162214512-(5-((7-(3-Chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)acetic acid

Product 1

HCID 162214542-(3-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-430a400b8739465392713871696b2e9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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