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

HRID 186277Notes

Reaction equation

HRID 186277 reaction equation
[CH3:60][N:61]([CH3:62])[CH2:63][CH2:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH3:70].[CH3:71][C:72]#[N:73].[ClH:1].[ClH:59].[F:44][C:45]([O:46][c:47]1[cH:48][c:49]([CH2:53][C:54](=[O:55])[OH:56])[cH:50][cH:51][cH:52]1)([F:57])[F:58].[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:54]([CH2:53][c:49]1[cH:48][c:47]([O:46][C:45]([F:44])([F:57])[F:58])[cH:52][cH:51][cH:50]1)=[O:55]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 27773163-(Trifluoromethoxy)phenylacetic AcidHCID 219885264-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

Product 1

HCID 58827237N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-2-(3-trifluoromethoxy-phenyl)-acetamide

Sources & evidence

ORD record
ord-d82ff57872ff4cb4b294eb2b7654077b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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