3,5-Difluorophenylacetic acid → HCID 178465035, 화합물

반응식

[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[OH:12])[cH:5][c:6]([F:8])[cH:7]1.[NH2:13][CH:14]([CH3:15])[C:16](=[O:17])[C:18]1([NH2:40])[C:19](=[O:39])[N:20]([CH3:38])[c:21]2[c:22]([cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]2)[C:23]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[N:24]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:12])[NH:13][CH:14]([CH3:15])[C:16](=[O:17])[C:18]2([NH2:40])[C:19](=[O:39])[N:20]([CH3:38])[c:21]3[c:22]([cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]3)[C:23]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[N:24]2)[cH:5][c:6]([F:8])[cH:7]1

참가 물질

반응물 2

HCID 1454243,5-Difluorophenylacetic acid

HCID 178464968HCID 178464968, 화합물

생성물 1

HCID 178465035HCID 178465035, 화합물

출처 및 근거

ORD 기록: ord-f5e20c738ce24aff9329ae3dbe10e030
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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