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Bicarbonate Ion → N-{3-[(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-3-(1-cyanocyclopropyl)benzamide

HRID 1560718
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HRID 1560718 반응식
[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]2)[CH2:4][CH2:5]1.[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([n:31]2)[cH:32][c:33]([NH:35][C:36]([CH3:37])=[O:38])[n:34]3)[cH:39][cH:40][cH:41]1.[Na+:42].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH:43][C:44](=[O:45])[O-:46]>>[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([C:9](=[O:11])[NH:21][c:22]3[cH:23][c:24]([O:25][c:26]4[cH:27][cH:28][c:29]5[n:30]([n:31]4)[cH:32][c:33]([NH:35][C:36]([CH3:37])=[O:38])[n:34]5)[cH:39][cH:40][cH:41]3)[cH:12][cH:13][cH:14]2)[CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 65578Oxalyl chlorideHCID 574410393-(1-Cyanocyclopropyl)benzoic acid
HCID 57441053
N-[6-(3-aminophenoxy)imidazo[1,2-b]pyridazin-2-yl]acetamide

생성물 1

HCID 57505748N-{3-[(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-3-(1-cyanocyclopropyl)benzamide

출처 및 근거

ORD 기록
ord-48acf41ce4224fa7b39a1b10c7ac8ca7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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