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Acetate → Hydrochloric Acid

HRID 1235769
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HRID 1235769 반응식
[CH3:22][C:23](=[O:24])[O-:25].[ClH:26].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:10][cH:11][cH:12]1)(=[O:19])=[O:20].[K+:21].[N:27]12[CH2:28][CH:29]([NH:35][C:36](=[O:37])[c:38]3[s:39][c:40]4[c:41]([cH:42]3)[cH:43][cH:44][cH:45][c:46]4[Br:47])[CH:30]([CH2:31][CH2:32]1)[CH2:33][CH2:34]2.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[ClH:26].[c:7]1(-[c:46]2[c:40]3[s:39][c:38]([C:36]([NH:35][CH:29]4[CH2:28][N:27]5[CH2:32][CH2:31][CH:30]4[CH2:33][CH2:34]5)=[O:37])[cH:42][c:41]3[cH:43][cH:44][cH:45]2)[cH:8][c:9]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 17982630N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-1-benzothiophene-2-carboxamide
HCID 17982677
3-Morpholin-4-ylphenyl trifluoromethanesulfonate

생성물 2

HCID 313Hydrochloric AcidHCID 17982648N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(3-morpholin-4-ylphenyl)-1-benzothiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-ccdef1e4bbaa4589b84592ce410c10fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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