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Hydrochloric Acid → HCID 9848922, 화합물

HRID 1141098
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HRID 1141098 반응식
[C:48](=[O:49])([O-:50])[O-:51].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:54].[I-:47].[K+:46].[K+:52].[K+:53].[N:1]1([c:7]2[c:8]3[cH:9][c:10]([C:16](=[O:17])[O:18][CH3:19])[nH:11][c:12]3[cH:13][cH:14][cH:15]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[N:20]1([C:27]([CH:28]([CH2:29][CH2:30][Cl:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[N:1]1([c:7]2[c:8]3[cH:9][c:10]([C:16](=[O:17])[O:18][CH3:19])[nH:11][c:12]3[cH:13][cH:14][cH:15]2)[CH2:2][CH2:3][N:4]([CH2:30][CH2:29][CH:28]([C:27]([N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)=[O:38])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 15286015
1-Azepan-1-yl-4-chloro-2-phenylbutan-1-one
HCID 19955417HCID 19955417, 화합물

생성물 1

HCID 9848922HCID 9848922, 화합물

출처 및 근거

ORD 기록
ord-f788f7ecbadc4d868a873b9155539c95
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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