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Hydrochloric Acid → 3-bromo-4-[4-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide

HRID 695445
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반응식

HRID 695445 반응식
[Br:16][c:17]1[cH:18][c:19]([S:29](=[O:30])(=[O:31])[NH2:32])[cH:20][cH:21][c:22]1[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([CH2:12][CH2:13][OH:14])[O:7][CH2:6][CH2:5]2.[Br:33][c:34]1[cH:35][c:36]([O:37][CH3:38])[cH:39][cH:40][c:41]1[N:42]1[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]1.[CH:48]1([CH2:49][CH2:50][N:51]2[CH2:52][CH2:53][N:54]([c:55]3[cH:56][cH:57][c:58]([C:59]([NH2:60])=[O:61])[cH:62][cH:63]3)[CH2:64][CH2:65]2)[c:66]2[c:67]([cH:68][cH:69][cH:70][cH:71]2)[CH2:72][CH2:73][O:74]1.[ClH:15]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([CH2:12][CH2:13][N:26]1[CH2:25][CH2:24][N:23]([c:22]3[c:17]([Br:16])[cH:18][c:19]([S:29](=[O:30])(=[O:31])[NH2:32])[cH:20][cH:21]3)[CH2:28][CH2:27]1)[O:7][CH2:6][CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 10270210(-)-4-[4-[2-(Isochroman-1-yl)ethyl]piperazin-1-yl]benzamideHCID 232888302-(6-Bromoisochroman-1-yl)ethanolHCID 232888393-Bromo-4-piperazin-1-ylbenzenesulfonamideHCID 232889281-(2-Bromo-4-methoxyphenyl)piperazine

생성물 1

HCID 23288748
3-bromo-4-[4-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-f095a037fa9e47e19ef368a0e31b360e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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