Hydrochloric Acid → methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-7-enoyl]-4-(4-phenylphenyl)-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate

HRID 1204070Notes

Reaction equation

HRID 1204070 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]=[CH2:44].[CH2:1]([CH:2]=[CH2:3])[S:4][C:5]1([c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:6][CH:7]([C:10](=[O:11])[O:12][CH3:13])[NH:8][CH2:9]1.[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:78][CH2:79][Cl:80].[ClH:26].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH2:1]([CH:2]=[CH2:3])[S:4][C:5]1([c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:6][CH:7]([C:10](=[O:11])[O:12][CH3:13])[N:8]([C:36]([CH:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]=[CH2:44])=[O:37])[CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 225565292-(Boc-amino)oct-7-enoic acidHCID 67030849Methyl 4-(4-phenylphenyl)-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate

Product 1

HCID 178444002methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-7-enoyl]-4-(4-phenylphenyl)-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate

Sources & evidence

ORD record
ord-c49d2c7b2e1f483c864cd3df08418010
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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