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Sodium Ion → N-Methyl-3-[3-(2-phenyl-pyridin-4-yl)-imidazo[1,2-b]pyridazin-7-yl]-benzamide

HRID 2142071
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HRID 2142071 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[n:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH3:23])[cH:24][cH:25][cH:26]2)[cH:16]3)[cH:7]1.[Na+:41].[Na+:42].[OH2:36].[Pd:49]([Cl:50])[Cl:51].[c:27]1([B:33]([OH:34])[OH:35])[cH:28][cH:29][cH:30][cH:31][cH:32]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[c:2]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[n:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH3:23])[cH:24][cH:25][cH:26]2)[cH:16]3)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2회HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 66827Phenylboronic Acid
HCID 44473460
3-[3-(2-Chloro-pyridin-4-yl)-imidazo[1,2-b]pyridazin-7-yl]-N-methyl-benzamide

생성물 1

HCID 25176057N-Methyl-3-[3-(2-phenyl-pyridin-4-yl)-imidazo[1,2-b]pyridazin-7-yl]-benzamide

출처 및 근거

ORD 기록
ord-4e9d919fd6d941a58426cdcb40e22b1d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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