6-Chloro-3-pyridinecarbonitrile → Hydrochloric Acid

HRID 155087노트

반응식

HRID 155087 반응식
[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([B:20]4[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]4)[cH:18][cH:19]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Cl:29][c:30]1[n:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17](-[c:30]4[n:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]4)[cH:18][cH:19]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[ClH:29]

참가 물질

4

반응물 2

HCID 51520946-Chloro-3-pyridinecarbonitrileHCID 669304171-cyclobutyl-4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}hexahydro-1H-1,4-diazepine

생성물 2

HCID 313Hydrochloric AcidHCID 111526136-[4-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-42166789fe6a4edb8c077b3acf45765f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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