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Hydrochloric Acid → [4-(2-Azepan-1-ylethoxy)benzyl][6-methoxy-2-(4-methoxyphenyl)indan-4-yl]methyl amine

HRID 177441
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인쇄 미리보기

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HRID 177441 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][c:16]2[c:17]3[c:21]([cH:22][c:23]([O:25][CH3:26])[cH:24]2)[CH2:20][CH:19]([c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[CH2:18]3)[cH:35][cH:36]1.[CH3:37][O:38][c:39]1[cH:40][c:41]2[c:42]([c:54]([CH2:55][NH2:56])[cH:57]1)[CH2:43][CH:44]([c:45]1[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]1)[CH2:53]2.[ClH:58].[N:59]1([CH2:66][CH2:67][O:68][c:69]2[cH:70][cH:71][c:72]([C:73]([OH:74])=[O:75])[cH:76][cH:77]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH2:1]([O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][c:16]2[c:17]3[c:21]([cH:22][c:23]([O:25][CH3:26])[cH:24]2)[CH2:20][CH:19]([c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[CH2:18]3)[cH:35][cH:36]1)[CH2:66][N:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 313Hydrochloric AcidHCID 131748694-[2-(Azepan-1-yl)ethoxy]benzoic acidHCID 66626750(4-Benzyloxybenzyl)[6-methoxy-2-(4-methoxyphenyl)indan-4-yl]methylamineHCID 86605266[6-Methoxy-2-(4-methoxyphenyl)indan-4-yl]methylamine

생성물 1

HCID 66627713[4-(2-Azepan-1-ylethoxy)benzyl][6-methoxy-2-(4-methoxyphenyl)indan-4-yl]methyl amine

출처 및 근거

ORD 기록
ord-43f831b43867499f9f0de3f22ba5e897
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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