Ethyl Acetate → HCID 67025902, compound

HRID 694028Notes

Reaction equation

HRID 694028 reaction equation
[B-:10]([F:11])([F:12])([F:13])[F:14].[CH3:70][N:71]1[CH2:72][CH2:73][CH2:74][C:75]1=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:41][c:42]1[cH:43][c:44]([CH:49]2[CH2:50][N:51]([C:56](=[O:57])[CH:58]3[CH2:59][CH2:60][N:61]([C:64](=[O:65])[C:66]4([CH3:69])[CH2:67][CH2:68]4)[CH2:62][CH2:63]3)[CH2:52][CH:53]2[NH:54][CH3:55])[cH:45][cH:46][c:47]1[Cl:48].[F:1][C:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])([F:8])[F:9].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[F:1][C:2]([CH2:3][CH2:4][C:5](=[O:6])[N:54]([CH:53]1[CH:49]([c:44]2[cH:43][c:42]([Cl:41])[c:47]([Cl:48])[cH:46][cH:45]2)[CH2:50][N:51]([C:56](=[O:57])[CH:58]2[CH2:59][CH2:60][N:61]([C:64](=[O:65])[C:66]3([CH3:69])[CH2:67][CH2:68]3)[CH2:62][CH2:63]2)[CH2:52]1)[CH3:55])([F:8])[F:9]

Participants

8

Reactant 7

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27770854,4,4-Trifluorobutanoic acidHCID 67025815[(3SR,4RS)-3-(3,4-Dichloro-phenyl)-4-methylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone

Product 1

HCID 67025902HCID 67025902, compound

Sources & evidence

ORD record
ord-761af93cf3b241beba2b767203536134
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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