Water → Tert-butyl 2-[1-[(2,6-dichlorophenyl)methyl]-3-[(1-hexylpiperidin-4-yl)carbamoyl]-4-methylpyrrolidin-3-yl]acetate

HRID 186061Notes

Reaction equation

HRID 186061 reaction equation
[C:54]([CH3:55])([CH3:56])([CH3:57])[O:58][C:59]([CH2:60][C:61]1([C:76](=[O:77])[OH:78])[CH2:62][N:63]([CH2:67][c:68]2[c:69]([Cl:75])[cH:70][cH:71][cH:72][c:73]2[Cl:74])[CH2:64][CH:65]1[CH3:66])=[O:79].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[OH2:80].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][P+:30]([N:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)([N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[CH2:8][CH2:9][CH:10]([NH:13][C:76]([C:61]2([CH2:60][C:59]([O:58][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:79])[CH2:62][N:63]([CH2:67][c:68]3[c:69]([Cl:75])[cH:70][cH:71][cH:72][c:73]3[Cl:74])[CH2:64][CH:65]2[CH3:66])=[O:77])[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 111830401-Hexylpiperidin-4-amineHCID 71293625(3RS,4SR)-3-[2-(tert-butoxy)-2-oxoethyl]-1-[(2,6-dichlorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid

Product 1

HCID 71293841Tert-butyl 2-[1-[(2,6-dichlorophenyl)methyl]-3-[(1-hexylpiperidin-4-yl)carbamoyl]-4-methylpyrrolidin-3-yl]acetate

Sources & evidence

ORD record
ord-cea25751696b4919bb8786396e88bd24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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