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Bicarbonate Ion → 3-(1-cyanocyclopropyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}benzamide

HRID 802993
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HRID 802993 반응식
[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:48][C:49]#[N:50].[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]5([C:32]#[N:33])[CH2:30][CH2:31]5)[cH:26][cH:27][cH:28]4)=[O:34])[cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:35]1.[Na+:43].[OH:44][C:45](=[O:46])[O-:47]>>[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]5([C:32]#[N:33])[CH2:30][CH2:31]5)[cH:26][cH:27][cH:28]4)=[O:34])[cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:35]1)[N:40]1[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]1
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참가 물질

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반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 531671-MethylpiperazineHCID 57505753N-[3-({2-[(chloroacetyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-(1-cyanocyclopropyl)benzamide

생성물 1

HCID 57505754
3-(1-cyanocyclopropyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}benzamide

출처 및 근거

ORD 기록
ord-5c3e7090e83742e296dcbd18ef7d74cb
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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