Hydrochloric Acid → 2-(2,6-Dioxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

HRID 198714Notes

Reaction equation

HRID 198714 reaction equation
[Br:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][c:12]2[c:13]3[c:17]([cH:18][cH:19][cH:20]2)[C:16](=[O:21])[N:15]([CH:22]2[C:23](=[O:29])[NH:24][C:25](=[O:28])[CH2:26][CH2:27]2)[C:14]3=[O:30])[cH:31][cH:32]1.[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[Cl:1][CH2:2][Cl:3].[ClH:33].[F:34][C:35]([CH2:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1)([F:43])[F:44].[OH2:54]>>[CH2:5]([c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][c:12]2[c:13]3[c:17]([cH:18][cH:19][cH:20]2)[C:16](=[O:21])[N:15]([CH:22]2[C:23](=[O:29])[NH:24][C:25](=[O:28])[CH2:26][CH2:27]2)[C:14]3=[O:30])[cH:31][cH:32]1)[N:40]1[CH2:39][CH2:38][N:37]([CH2:36][C:35]([F:34])([F:43])[F:44])[CH2:42][CH2:41]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 95339211-(2,2,2-Trifluoroethyl)piperazineHCID 673341024-[[4-(Bromomethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Product 1

HCID 673359972-(2,6-Dioxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

Sources & evidence

ORD record
ord-dd7f5dd91b144ad9a286974617cb29a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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