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Bromide ion → Ziprasidone

HRID 169370
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HRID 169370 반응식
[Br-:38].[CH2:39]([P+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[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].[OH2:56]>>[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
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 259Bromide ionHCID 923Sodium Ion3회HCID 962WaterHCID 8078CyclohexaneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 75312Tetrabutylphosphonium cationHCID 2772144
3-(1-Piperazinyl)-1,2-benzisothiazole
HCID 106094745-(2-Chloroethyl)-6-chlorooxindole

생성물 1

HCID 60854Ziprasidone

출처 및 근거

ORD 기록
ord-8067d1f295a844c792222e06c3a70c7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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