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Hydrochloric Acid → Hydrochloric Acid

HRID 2317398
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인쇄 미리보기

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HRID 2317398 반응식
[C:33](=[O:34])([OH:35])[O-:36].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[Cl:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[ClH:40].[I-:39].[K+:38].[Na+:37].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:21].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 1140TolueneHCID 3283Diethyl EtherHCID 15723AzacyclonolHCID 30165Iodide Ion
HCID 253533
4-Chlorobutyrophenone

생성물 2

HCID 313Hydrochloric AcidHCID 10476845TERFENADINEKETODESTBUTYLANALOG

출처 및 근거

ORD 기록
ord-99208c86caaf4cada15449c6277ffa84
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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