Diethanolamine → 4-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one

HRID 1228929

반응식

HRID 1228929 반응식
[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][N:7]([c:8]2[c:9](=[O:10])[n:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[n:16][c:17](-[c:18]3[cH:19][cH:20][c:21]([CH3:22])[c:23]([F:24])[cH:25]3)[c:26]2[CH3:27])[CH2:28][CH2:29]1)=[O:30])([CH3:31])([CH3:32])[CH3:33].[CH:34]1([CH2:37][n:38]2[n:39][c:40](-[c:53]3[cH:54][c:55]([F:61])[c:56]([O:59][CH3:60])[cH:57][cH:58]3)[cH:41][c:42]([CH2:45][CH2:46][CH2:47][O:48][S:49]([CH3:50])(=[O:51])=[O:52])[c:43]2=[O:44])[CH2:35][CH2:36]1.[OH:62][CH2:63][CH2:64][NH:65][CH2:66][CH2:67][OH:68]>>[CH:34]1([CH2:37][n:38]2[n:39][c:40](-[c:53]3[cH:54][c:55]([F:61])[c:56]([O:59][CH3:60])[cH:57][cH:58]3)[cH:41][c:42]([CH2:45][CH2:46][CH2:47][N:65]([CH2:64][CH2:63][OH:62])[CH2:66][CH2:67][OH:68])[c:43]2=[O:44])[CH2:35][CH2:36]1

참가 물질

4

반응물 3

HCID 8113DiethanolamineHCID 219915592-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-(3-metha nesulfonyloxypropyl)-2H-pyridazin-3-oneHCID 672140994-(4-tert-butoxycarbonyl-1-piperazinyl)-methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one

생성물 1

HCID 219913974-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one

출처 및 근거

ORD 기록
ord-f534510a43e8479698621d13813b82cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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