Acetate → 4-chloro-N-({4-chloro-3-[(3-cyano-5-cyclopropylphenyl)oxy]-2-fluorophenyl}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxamide

HRID 306158

Reaction equation

HRID 306158 reaction equation
[CH3:3][N:4]([N:5]=[O:6])[C:7]([NH2:8])=[O:9].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Cl:10][c:11]1[n:12][cH:13][n:14]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:15]1[C:16](=[O:17])[NH:18][CH2:19][c:20]1[c:21]([F:38])[c:22]([O:27][c:28]2[cH:29][c:30]([C:36]#[N:37])[cH:31][c:32]([CH:34]=[CH2:35])[cH:33]2)[c:23]([Cl:26])[cH:24][cH:25]1.[Cl:47][CH2:48][Cl:49].[K+:2].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH-:1].[Pd+2:55]>>[CH2:3]1[CH:34]([c:32]2[cH:31][c:30]([C:36]#[N:37])[cH:29][c:28]([O:27][c:22]3[c:21]([F:38])[c:20]([CH2:19][NH:18][C:16]([c:15]4[c:11]([Cl:10])[n:12][cH:13][n:14]4[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])=[O:17])[cH:25][cH:24][c:23]3[Cl:26])[cH:33]2)[CH2:35]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 961HydroxideHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 12699N-Methyl-N-nitrosoureaHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 684870564-chloro-N-({4-chloro-3-[(3-cyano-5-ethenylphenyl)oxy]-2-fluorophenyl}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxamide

Product 1

HCID 684876074-chloro-N-({4-chloro-3-[(3-cyano-5-cyclopropylphenyl)oxy]-2-fluorophenyl}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxamide

Sources & evidence

ORD record
ord-db4d58b29f2d4329b01fe84e7da7c579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…