Ethylmorpholine → benzyl N-[4-amino-1-[[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

HRID 2146410Notes

Reaction equation

HRID 2146410 reaction equation
[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[NH:40][CH:41]([CH2:42][C:43]([NH2:44])=[O:45])[C:46](=[O:47])[OH:48].[CH2:59]([N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1)[CH3:66].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH:67]1([N:68]=[C:69]=[N:70][CH:71]2[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]2)[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[NH2:1][CH:2]([CH:3]([CH2:4][N:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH:12]2[CH2:13][CH:14]1[C:15](=[O:16])[NH:17][C:18]([CH3:19])([CH3:20])[CH3:21])[OH:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[O:82]1[CH2:83][CH2:84][CH2:85][CH2:86]1.[OH:49][c:50]1[c:51]2[n:52][n:53][nH:54][c:55]2[cH:56][cH:57][cH:58]1>>[NH:1]([CH:2]([CH:3]([CH2:4][N:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH:12]2[CH2:13][CH:14]1[C:15](=[O:16])[NH:17][C:18]([CH3:19])([CH3:20])[CH3:21])[OH:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[C:46]([CH:41]([NH:40][C:38]([O:37][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:39])[CH2:42][C:43]([NH2:44])=[O:45])=[O:47]

Participants

8

Reactant 7

HCID 7525EthylmorpholineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 246565Carbobenzoxy-L-asparagineHCID 14962803[3S-[2(2S*,3R),3a,4ab,8ab]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-IsoquinolinecarboxamideHCID 178418300HCID 178418300, compound

Product 1

HCID 15107603benzyl N-[4-amino-1-[[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-2a45d26ce39e4e9d889d0c26ea21a31e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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