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Hydrochloric Acid → Hydrochloric Acid

HRID 159493
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인쇄 미리보기

반응식

HRID 159493 반응식
[C:31]([CH3:32])([CH3:33])([CH3:34])[N:35]=[C:36]=[O:37].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[ClH:1].[ClH:2].[NH2:3][c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[ClH:1].[NH:3]([c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1)[C:36]([NH:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62412tert-Butyl isocyanateHCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

생성물 2

HCID 313
Hydrochloric Acid
HCID 77215162N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(tert-butylcarbamoylamino)-1-benzothiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-a95425532da04b02a646321aee9d70f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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