1,2-Dichloroethane → Methyl 2-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-phenylmethoxycarbonylamino]ethylamino]-4-phenylmethoxybutanoate

HRID 185412Notes

Reaction equation

HRID 185412 reaction equation
[BH3:76].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH:11]=[O:12])[C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH2:83]([OH:84])[CH3:85].[CH3:24][O:25][C:26]([CH:27]([CH2:28][CH2:29][O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH2:38])=[O:39].[CH3:40][O:41][C:42](=[O:43])[CH:44]([N:45]1[C:46](=[O:47])[CH2:48][CH2:49][N:50]([C:51](=[O:52])[CH:53]=[CH:54][c:55]2[cH:56][cH:57][c:58]([Cl:59])[c:60]([Cl:61])[cH:62]2)[CH2:63][CH2:64]1)[CH2:65][C:66]([OH:67])=[O:68].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:90][C:91](=[O:92])[OH:93].[Cl:86][CH2:87][CH2:88][Cl:89].[n:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH2:11][NH:38][CH:27]([C:26]([O:25][CH3:24])=[O:39])[CH2:28][CH2:29][O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 702EthanolHCID 1049PyridineHCID 6331BoraneHCID 8471TriethylamineHCID 66782702Methyl 2-amino-4-(benzyloxy)butanoateHCID 670749143-[4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-7-oxo-1,4-diazepan-1-yl]-4-methoxy-4-oxobutanoic acidHCID 866381053-[Benzyloxycarbonyl-(2-oxo-ethyl)-amino]-propionic acid tert-butyl ester

Product 1

HCID 67074628Methyl 2-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-phenylmethoxycarbonylamino]ethylamino]-4-phenylmethoxybutanoate

Sources & evidence

ORD record
ord-7c664e9142604301b415c57af72ac523
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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