Ethanol → S 82-5455

HRID 698876

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 68708Floxacrine

HCID 813491-Amino-4-methylpiperazine

생성물 1

HCID 3086317S 82-5455

출처 및 근거

ORD 기록: ord-f7f167c4e5bc43fcadf9b3b256c6af55
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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