Ammonia → Jnj-49095397

HRID 89046Notes

Reaction equation

HRID 89046 reaction equation
[CH3:49][O:50][CH2:51][C:52](=[O:53])[Cl:54].[CH3:56][OH:57].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:63][CH2:64][Cl:65].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:36]([CH3:37])([CH3:38])[CH3:39])[n:27][n:28]3-[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7]1.[NH3:55].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:36]([CH3:37])([CH3:38])[CH3:39])[n:27][n:28]3-[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:7]1)[C:52]([CH2:51][O:50][CH3:49])=[O:53]

Participants

8

Reactant 7

HCID 222AmmoniaHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 96623Methoxyacetyl chlorideHCID 584167531-(4-((2-Aminopyridin-4-yl)methoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea

Product 1

HCID 45109868Jnj-49095397

Sources & evidence

ORD record
ord-8ec21e3c6de24911be0276748e16d89d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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