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Dimethylamine → N-[3-({2-[(N,N-dimethylglycyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

HRID 1217331
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HRID 1217331 반응식
[CH3:35][NH:36][CH3:37].[CH3:43][C:44]#[N:45].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[n:7][c:8]2[n:9]([n:10][c:11]([O:14][c:15]3[cH:16][c:17]([NH:21][C:22]([c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)=[O:33])[cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:34]1.[Na+:38].[OH:39][C:40](=[O:41])[O-:42]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[n:7][c:8]2[n:9]([n:10][c:11]([O:14][c:15]3[cH:16][c:17]([NH:21][C:22]([c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)=[O:33])[cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:34]1)[N:36]([CH3:35])[CH3:37]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 674DimethylamineHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 57505744N-[3-({2-[(chloroacetyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

생성물 1

HCID 24767995N-[3-({2-[(N,N-dimethylglycyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-09c3b245f47d41b88df4a12406e96453
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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