Hydrochloric Acid → 1-(3-cyano-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-urea

HRID 196240

Reaction equation

HRID 196240 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]=[C:10]=[O:11])[cH:6][cH:7][cH:8]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[ClH:12].[NH2:13][CH2:14][c:15]1[c:16]2[c:20]([cH:21][cH:22][cH:23]1)[C:19](=[O:24])[N:18]([CH:25]1[C:26](=[O:32])[NH:27][C:28](=[O:31])[CH2:29][CH2:30]1)[CH2:17]2>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:13][CH2:14][c:15]2[c:16]3[c:20]([cH:21][cH:22][cH:23]2)[C:19](=[O:24])[N:18]([CH:25]2[C:26](=[O:32])[NH:27][C:28](=[O:31])[CH2:29][CH2:30]2)[CH2:17]3)[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27333153-IsocyanatobenzonitrileHCID 219885693-[4-(Aminomethyl)-1-oxo-isoindolin-2-yl]piperidine-2,6-dione

Product 1

HCID 161172121-(3-cyano-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-urea

Sources & evidence

ORD record
ord-2e8e27917c6b4c45b162f8452c36faf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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