Dichloromethane → tert-Butyl [3-(1-Hydroxy-1-methylethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]carbamate

HRID 1234978Notes

Reaction equation

HRID 1234978 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:15])[OH:16])([C:17]([CH3:18])([CH3:19])[OH:20])[CH2:12][CH2:13]1.[CH2:71]([Cl:72])[Cl:73].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[F:21][C:22]([c:23]1[cH:24][c:25]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[n:26][cH:27][cH:28]1)([F:35])[F:36].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][P+:53]([N:54]([CH3:55])[CH3:56])([N:57]([CH3:58])[CH3:59])[N:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:16])[N:32]2[CH2:31][CH2:30][N:29]([c:25]3[cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:28][cH:27][n:26]3)[CH2:34][CH2:33]2)([C:17]([CH3:18])([CH3:19])[OH:20])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 112184921-[4-(Trifluoromethyl)pyridin-2-yl]piperazineHCID 688115051-(2-Hydroxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

Product 1

HCID 72573886tert-Butyl [3-(1-Hydroxy-1-methylethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]carbamate

Sources & evidence

ORD record
ord-79f5e8b5a621402aa6d554786768c84a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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