4-(Dimethylamino)pyridine → Methyl 5-chloro-2-(4-(dimethylamino)benzamido)-4-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)benzoate

HRID 282679Notes

Reaction equation

HRID 282679 reaction equation
[C:47]([N:48]=[P:49]1([N:50]([CH2:51][CH3:52])[CH2:53][CH3:54])[N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]1[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH3:35][N:36]([c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45]1)[CH3:46].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:34])[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[c:21](-[c:26]4[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]4)[n:22][o:23][c:24]3[CH3:25])[CH2:16][CH2:17]2)[cH:11]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:34])[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[c:21](-[c:26]4[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]4)[n:22][o:23][c:24]3[CH3:25])[CH2:16][CH2:17]2)[cH:11]1)[C:41]([c:40]1[cH:39][cH:38][c:37]([N:36]([CH3:35])[CH3:46])[cH:45][cH:44]1)=[O:42]

Participants

5

Reactant 4

HCID 142844-(Dimethylamino)pyridineHCID 35138512-((1,1-Dimethylethyl)imino)-N,N-diethylhexahydro-1,3-dimethyl-2lambda5-1,3,2-diazaphosphorin-2-amineHCID 44007824-(Dimethylamino)benzoyl chlorideHCID 66691522Methyl 2-amino-5-chloro-4-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)benzoate

Product 1

HCID 66692078Methyl 5-chloro-2-(4-(dimethylamino)benzamido)-4-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)benzoate

Sources & evidence

ORD record
ord-08ad421b305043f9b53114c2ff32f056
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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