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Water → N-Cyclohexyl-alpha-[2-(1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxy]acetamide

HRID 1118874
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HRID 1118874 반응식
[C:41]([P:42](=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49])#[N:50].[CH2:1]1[N:2]([CH2:20][CH2:21][O:22][CH2:23][C:24](=[O:25])[OH:26])[CH2:3][CH2:4][N:5]2[CH:6]1[c:7]1[c:8]([cH:16][cH:17][cH:18][cH:19]1)[CH2:9][c:10]1[c:11]2[cH:12][cH:13][cH:14][cH:15]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[NH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:51]>>[CH2:1]1[N:2]([CH2:20][CH2:21][O:22][CH2:23][C:24](=[O:25])[NH:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:3][CH2:4][N:5]2[CH:6]1[c:7]1[c:8]([cH:16][cH:17][cH:18][cH:19]1)[CH2:9][c:10]1[c:11]2[cH:12][cH:13][cH:14][cH:15]1
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반응물 6

HCID 962WaterHCID 7965CyclohexylamineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 99284432-(1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxyacetic acid

생성물 1

HCID 18999744
N-Cyclohexyl-alpha-[2-(1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxy]acetamide

출처 및 근거

ORD 기록
ord-674e98eb12ab44a4b1552c750b640ea0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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