Dichloromethane → 2-{4-[2-Tert-butoxycarbonylamino-3-(4-fluorophenyl)-propionyl]-3-cyclopropylmethyl-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester

HRID 1572227Notes

Reaction equation

HRID 1572227 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[NH:35][CH:36]([C:37](=[O:38])[OH:39])[CH2:40][c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1.[CH2:81]([N:82]([CH2:83][CH3:84])[CH2:85][CH3:86])[CH3:87].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:26])[CH:18]([CH2:22][CH:23]2[CH2:24][CH2:25]2)[NH:19][CH2:20][CH2:21]1)=[O:27].[Cl:88][CH2:89][Cl:90].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][P+:57]([N:58]2[CH2:59][CH2:60][CH2:61][CH2:62]2)([N:63]2[CH2:64][CH2:65][CH2:66][CH2:67]2)[N:68]2[CH2:69][CH2:70][CH2:71][CH2:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:26])[CH:18]([CH2:22][CH:23]2[CH2:24][CH2:25]2)[N:19]([C:37]([CH:36]([NH:35][C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][c:41]2[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]2)=[O:38])[CH2:20][CH2:21]1)=[O:27]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 27567942-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acidHCID 695878362-(3-Cyclopropylmethyl-2-oxo-piperazin-1-yl)-3-naphthalen-2-yl-propionic acid methyl ester

Product 1

HCID 695873442-{4-[2-Tert-butoxycarbonylamino-3-(4-fluorophenyl)-propionyl]-3-cyclopropylmethyl-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester

Sources & evidence

ORD record
ord-2829d92602e6461d9e1508df81f4459d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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