Acetonitrile → 5-Amino-7-[3-(aminomethyl)-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

HRID 192722

반응식

HRID 192722 반응식
[CH3:30][C:31]#[N:32].[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([F:13])[c:11]1[F:12].[NH2:22][CH2:23][CH:24]1[CH2:25][NH:26][CH2:27][CH:28]1[CH3:29]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([N:26]2[CH2:25][CH:24]([CH2:23][NH2:22])[CH:28]([CH3:29])[CH2:27]2)[c:11]1[F:12]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 4583498(4-Methylpyrrolidin-3-yl)methanamineHCID 139109475-Amino-1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 198371905-Amino-7-[3-(aminomethyl)-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-1c705eaf24d44d6ebc6c2867236cc1be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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