Hydrochloric Acid → Hydrochloric Acid

HRID 2124364노트

반응식

HRID 2124364 반응식
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[ClH:41].[NH2:1][c:2]1[n:3][c:4](-[c:27]2[c:28]([O:33][Si:34]([C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31][cH:32]2)[cH:5][c:6](-[c:10]2[cH:11][c:12]([NH:16][C:17]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)=[O:26])[cH:13][cH:14][cH:15]2)[c:7]1[C:8]#[N:9]>>[ClH:41].[NH2:1][c:2]1[n:3][c:4](-[c:27]2[c:28]([OH:33])[cH:29][cH:30][cH:31][cH:32]2)[cH:5][c:6](-[c:10]2[cH:11][c:12]([NH:16][C:17]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)=[O:26])[cH:13][cH:14][cH:15]2)[c:7]1[C:8]#[N:9]

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 69144979N-{3-[2-amino-6-(2-{[tert-butyl(dimethyl)silyl]oxy}phenyl)-3-cyano-4-pyridinyl]phenyl}-3-(1-piperidinyl)propanamide

생성물 2

HCID 313Hydrochloric AcidHCID 135456003N-{3-[2-Amino-3-cyano-6-(2-hydroxyphenyl)pyridin-4-yl]phenyl}-3-(piperidin-1-yl)propanamide

출처 및 근거

ORD 기록
ord-e01b14c0afad43f5a2c1a4ba7add358e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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