Dichloromethane → Methyl 4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]benzoate

HRID 102096Notes

Reaction equation

HRID 102096 reaction equation
[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:80]([Cl:81])[Cl:82].[CH3:55][O:56][C:57]([c:58]1[cH:59][cH:60][c:61]([CH2:64][n:65]2[cH:66][cH:67][c:68]([NH2:69])[n:70]2)[cH:62][cH:63]1)=[O:71].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH3:48])[cH:46][cH:47]2)[CH2:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[n:72]1[c:73]([CH3:74])[cH:75][cH:76][cH:77][c:78]1[CH3:79]>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH2:48][c:61]3[cH:60][cH:59][c:58]([C:57]([O:56][CH3:55])=[O:71])[cH:63][cH:62]3)[cH:46][cH:47]2)[CH2:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38]

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 79372,6-LutidineHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 67184N-bromobutanimideHCID 54920827Methyl 4-[(3-amino-1H-pyrazol-1-yl)methyl]benzoateHCID 671896922-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide

Product 1

HCID 67192358Methyl 4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]benzoate

Sources & evidence

ORD record
ord-26d738b0c87f471c8d20fd5f8ba15e30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…