Hydrochloric Acid → 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

HRID 306553Notes

Reaction equation

HRID 306553 reaction equation
[C:2]([O:3][C:4](=[O:5])[N:9]1[CH2:10][CH2:11][N:12]([CH2:15][c:16]2[c:17]([C:46]([F:47])([F:48])[F:49])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]3[cH:26][cH:27][cH:28][c:29]4[cH:30][c:31]([O:35][c:36]5[n:37][cH:38][n:39][c:40]([NH:42][C:43]([CH3:44])=[O:45])[cH:41]5)[cH:32][cH:33][c:34]34)[cH:20][cH:21]2)[CH2:13][CH2:14]1)([CH3:6])([CH3:7])[CH3:8].[ClH:1].[Na+:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH-:50]>>[NH:9]1[CH2:10][CH2:11][N:12]([CH2:15][c:16]2[c:17]([C:46]([F:47])([F:48])[F:49])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]3[cH:26][cH:27][cH:28][c:29]4[cH:30][c:31]([O:35][c:36]5[n:37][cH:38][n:39][c:40]([NH:42][C:43]([CH3:44])=[O:45])[cH:41]5)[cH:32][cH:33][c:34]34)[cH:20][cH:21]2)[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 67406757Tert-butyl 4-[[4-[[6-(6-acetamidopyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

Product 1

HCID 674056696-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

Sources & evidence

ORD record
ord-c1e7a5a04bc34cfba6106dfb5679ab40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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