Acetic Acid → Risperidone

HRID 290142

Reaction equation

HRID 290142 reaction equation
[C:31]([BH3-:32])#[N:33].[CH3:35][CH2:36][OH:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH:15]=[CH:16][c:17]4[c:18]([CH3:28])[n:19][c:20]5[n:21]([c:22]4=[O:23])[CH2:24][CH2:25][CH2:26][CH2:27]5)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:29][cH:30]1.[Na+:34]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][c:17]4[c:18]([CH3:28])[n:19][c:20]5[n:21]([c:22]4=[O:23])[CH2:24][CH2:25][CH2:26][CH2:27]5)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:29][cH:30]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 865989853-{2-[4-(6-Fluorobenzo[d]isoxazol-3-yl)-piperidin-1-yl]-vinyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

Product 1

HCID 5073Risperidone

Sources & evidence

ORD record
ord-0f43dfb25e4040cc89a44b8d5a1a7032
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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