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Hydrochloric Acid → 3-(6-tert-Butyl-4-trifluoromethyl-pyridin-3-yl)-N-(3-ethynyl-5-fluoro-4-methanesulfonylamino-benzyl)-acrylamide

HRID 1237499
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반응식

HRID 1237499 반응식
[C:18]([CH3:19])([CH3:20])([CH3:21])[c:22]1[cH:23][c:24]([C:33]([F:34])([F:35])[F:36])[c:25]([CH:28]=[CH:29][C:30](=[O:31])[OH:32])[cH:26][n:27]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[ClH:17].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([C:15]#[CH:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([C:15]#[CH:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1)[C:30]([CH:29]=[CH:28][c:25]1[c:24]([C:33]([F:34])([F:35])[F:36])[cH:23][c:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[n:27][cH:26]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 59389713N-(4-Aminomethyl-2-ethynyl-6-fluoro-phenyl)-methanesulfonamideHCID 687849013-(6-Tert-butyl-4-trifluoromethyl-pyridin-3-yl)-acrylic acid

생성물 1

HCID 74332388
3-(6-tert-Butyl-4-trifluoromethyl-pyridin-3-yl)-N-(3-ethynyl-5-fluoro-4-methanesulfonylamino-benzyl)-acrylamide

출처 및 근거

ORD 기록
ord-a768310ef9b3407994fb10013aab13cb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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