Tetrahydrofuran → tert-butyl 2-[3-[2-[[3-(2,4-dichlorophenyl)-2-(2-hydroxycyclohexyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl]phenoxy]propanoate

HRID 1227030Notes

Reaction equation

HRID 1227030 reaction equation
[CH2:86]1[O:87][CH2:88][CH2:89][CH2:90]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:32]3[CH:33]([OH:38])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:11](=[O:31])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[O:68]=[C:69]([O:70][CH2:71][CH3:72])[N:73]=[N:74][C:75]([O:76][CH2:77][CH3:78])=[O:79].[OH:58][CH:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH3:67].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:32]3[CH:33]([OH:38])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:11](=[O:31])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([O:30][CH:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH3:67])[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 3604460Tert-butyl 2-hydroxypropanoateHCID 68449574(3RS,4RS)-3-(2,4-dichlorophenyl)-2-[(1SR,2SR)-2-hydroxycyclohexyl]-N-[2-(3-hydroxyphenyl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Product 1

HCID 178466526tert-butyl 2-[3-[2-[[3-(2,4-dichlorophenyl)-2-(2-hydroxycyclohexyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl]phenoxy]propanoate

Sources & evidence

ORD record
ord-07f0b9d13e79405ab153b143f59b9197
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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