Ammonia → (RS)-5-Chloro-pyridine-2-carboxylic acid [3-(5-amino-3-cyclopropyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-amide

반응식

[CH3:29][OH:30].[CH:2]1([C:5]2([c:12]3[cH:13][c:14]([NH:19][C:20](=[O:21])[c:22]4[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]4)[cH:15][cH:16][c:17]3[F:18])[CH2:6][O:7][CH2:8][C:9](=[S:11])[NH:10]2)[CH2:3][CH2:4]1.[NH3:1]>>[NH2:1][C:9]1=[N:10][C:5]([CH:2]2[CH2:3][CH2:4]2)([c:12]2[cH:13][c:14]([NH:19][C:20](=[O:21])[c:22]3[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:15][cH:16][c:17]2[F:18])[CH2:6][O:7][CH2:8]1

참가 물질

반응물 3

HCID 222Ammonia

HCID 887Methanol

HCID 86651226(RS)-5-chloro-pyridine-2-carboxylic acid [3-(3-cyclopropyl-5-thioxo-morpholin-3-yl)-4-fluoro-phenyl]-amide

생성물 1

HCID 50992036(RS)-5-Chloro-pyridine-2-carboxylic acid [3-(5-amino-3-cyclopropyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-amide

출처 및 근거

ORD 기록: ord-3592621a0269456795243c2080c3e80f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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