Bromide ion → Ziprasidone

HRID 2159356Notes

Reaction equation

HRID 2159356 reaction equation
[Br-:38].[CH2:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][c:12]1[Cl:13])[NH:9][C:8](=[O:14])[CH2:7]2.[I-:37].[N:15]1([c:21]2[n:22][s:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[Na+:30].[Na+:31].[Na+:36].[O-:32][C:33](=[O:34])[O-:35]>>[CH2:2]([CH2:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][c:12]1[Cl:13])[NH:9][C:8](=[O:14])[CH2:7]2)[N:18]1[CH2:17][CH2:16][N:15]([c:21]2[n:22][s:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:19]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion3×HCID 8078CyclohexaneHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 106094745-(2-Chloroethyl)-6-chlorooxindole

Product 1

HCID 60854Ziprasidone

Sources & evidence

ORD record
ord-cc5bf1a5b05c43569e3417f5e17a1be0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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