Water → Tert-butyl 4-[[4-[[6-(6-chloropyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

HRID 2336808Notes

Reaction equation

HRID 2336808 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([CH2:35][c:36]2[c:37]([C:43]([F:44])([F:45])[F:46])[cH:38][c:39]([NH2:42])[cH:40][cH:41]2)[CH2:33][CH2:34]1.[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[Cl:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1.[Cl:57][CH2:58][Cl:59].[OH2:56]>>[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[NH:42][c:39]4[cH:38][c:37]([C:43]([F:44])([F:45])[F:46])[c:36]([CH2:35][N:32]5[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]5)[cH:41][cH:40]4)[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 574551736-(6-Chloropyrimidin-4-yloxy)naphthalene-1-carbonyl chlorideHCID 66721574Tert-butyl 4-(4-amino-2-(trifluoromethyl)benzyl)piperazine-1-carboxylate

Product 1

HCID 86624935Tert-butyl 4-[[4-[[6-(6-chloropyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-508a1c7064b146ceb738fca7839c7318
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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