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Bicarbonate Ion → 1-{5-tert-butyl-2-[3-(3-hydroxy-propylamino)-phenyl]-2H-pyrazol-3-yl}-3-[4-(pyridin-4-yloxy)-phenyl]-urea

HRID 115679
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HRID 115679 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:38][c:39]3[cH:40][cH:41][n:42][cH:43][cH:44]3)[cH:36][cH:37]2)[n:8](-[c:10]2[cH:11][c:12]([NH:16][CH2:17][CH2:18][CH2:19][O:20][Si:21]([C:22]([CH3:23])([CH3:24])[CH3:25])([CH3:26])[CH3:27])[cH:13][cH:14][cH:15]2)[n:9]1.[CH3:57][OH:58].[Cl:60][CH2:61][Cl:62].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[OH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:38][c:39]3[cH:40][cH:41][n:42][cH:43][cH:44]3)[cH:36][cH:37]2)[n:8](-[c:10]2[cH:11][c:12]([NH:16][CH2:17][CH2:18][CH2:19][OH:20])[cH:13][cH:14][cH:15]2)[n:9]1
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참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 536301951-(5-tert-butyl-2-{3-[3-(tert-butyl-dimethyl-silanyloxy)-propylamino]-phenyl}-2H-pyrazol-3-yl)-3-[4-(pyridin-4-yloxy)-phenyl]-urea

생성물 1

HCID 115696011-{5-tert-butyl-2-[3-(3-hydroxy-propylamino)-phenyl]-2H-pyrazol-3-yl}-3-[4-(pyridin-4-yloxy)-phenyl]-urea

출처 및 근거

ORD 기록
ord-d02310f402ed48dfb6b3855e0ccd1410
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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