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Ammonia → [4-(2-Azepan-1-ylethoxy)benzyl][5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine

HRID 1132743
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반응식

HRID 1132743 반응식
[Al+3:2].[Al+3:8].[Cl-:10].[Cl-:7].[Cl-:9].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[N:11]1([CH2:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][c:28]3[c:29]([CH:36]4[CH2:37][c:38]5[cH:39][cH:40][c:41]([O:46][CH3:47])[cH:42][c:43]5[CH2:44][CH2:45]4)[cH:30][cH:31][c:32]([O:34][CH3:35])[cH:33]3)[cH:48][cH:49]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[NH3:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[N:11]1([CH2:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH2:25][NH:27][c:28]3[c:29]([CH:36]4[CH2:37][c:38]5[cH:39][cH:40][c:41]([O:46][CH3:47])[cH:42][c:43]5[CH2:44][CH2:45]4)[cH:30][cH:31][c:32]([O:34][CH3:35])[cH:33]3)[cH:48][cH:49]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 222AmmoniaHCID 312Chloride3회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum Cation2회HCID 166653Hydride4회HCID 666278204-(2-azepan-1-ylethoxy)-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]benzamide

생성물 1

HCID 57933857[4-(2-Azepan-1-ylethoxy)benzyl][5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine

출처 및 근거

ORD 기록
ord-5bef71c9dc9d43e68d3022b0d03431c5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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