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Hydrogen Bromide → 2-{4-[4-(4-Hydroxyphenyl)-1-piperazinyl]butyl}naphtho[1,8-cd]isothiazole 1,1-dioxide

HRID 2321499
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인쇄 미리보기

반응식

HRID 2321499 반응식
[BrH:20].[BrH:21].[C:35](=[O:36])([OH:37])[O-:38].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[S:7](=[O:18])(=[O:19])[c:8]2[c:9]3[c:10]1[cH:11][cH:12][cH:13][c:14]3[cH:15][cH:16][cH:17]2.[Na+:39].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH:22][c:23]1[cH:24][cH:25][c:26]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:27][cH:28]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][N:6]1[S:7](=[O:18])(=[O:19])[c:8]2[c:9]3[c:10]1[cH:11][cH:12][cH:13][c:14]3[cH:15][cH:16][cH:17]2)[N:32]1[CH2:31][CH2:30][N:29]([c:26]2[cH:25][cH:24][c:23]([OH:22])[cH:28][cH:27]2)[CH2:34][CH2:33]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 260Hydrogen Bromide2회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 92467p-(1-Piperazinyl)phenolHCID 28004062-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione

생성물

1
HCID 198170802-{4-[4-(4-Hydroxyphenyl)-1-piperazinyl]butyl}naphtho[1,8-cd]isothiazole 1,1-dioxide

출처 및 근거

ORD 기록
ord-2d5a3412253144989d4b00e7cf086588
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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