Hydrochloric Acid → N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-2-(3-trifluoromethyl-phenyl)-acetamide

HRID 124271Notes

Reaction equation

HRID 124271 reaction equation
[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH3:70][C:71]#[N:72].[ClH:1].[ClH:58].[F:44][C:45]([c:46]1[cH:47][c:48]([CH2:52][C:53](=[O:54])[OH:55])[cH:49][cH:50][cH:51]1)([F:56])[F:57].[N:23]12[CH2:24][CH2:25][CH2:26][N:27]=[C:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2.[NH2:2][CH2:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[C:8](=[O:13])[N:7]([CH:14]1[C:15](=[O:21])[NH:16][C:17](=[O:20])[CH2:18][CH2:19]1)[C:6]2=[O:22].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:2]([CH2:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[C:8](=[O:13])[N:7]([CH:14]1[C:15](=[O:21])[NH:16][C:17](=[O:20])[CH2:18][CH2:19]1)[C:6]2=[O:22])[C:53]([CH2:52][c:48]1[cH:47][c:46]([C:45]([F:44])([F:56])[F:57])[cH:51][cH:50][cH:49]1)=[O:54]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 676953-(Trifluoromethyl)benzeneacetic acidHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 219885264-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

Product 1

HCID 58827319N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-2-(3-trifluoromethyl-phenyl)-acetamide

Sources & evidence

ORD record
ord-03110a058de84974986228f02651794f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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