Dichloromethane → 1-(3-tert-butyl-1-(4-(methylsulfonyl)phenyl)-1H-pyrazol-5-yl)-3-(4-(2,3-dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)urea

HRID 832722노트

반응식

HRID 832722 반응식
[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[n:27][n:28](-[c:34]2[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[CH3:43])[cH:38][cH:39]2)[c:29]([N:31]=[C:32]=[O:33])[cH:30]1.[Cl:44][CH2:45][Cl:46].[NH2:1][c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15](=[O:17])[nH:16]3)[cH:19][cH:20]1>>[NH:1]([c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15](=[O:17])[nH:16]3)[cH:19][cH:20]1)[C:32]([NH:31][c:29]1[n:28](-[c:34]2[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[CH3:43])[cH:38][cH:39]2)[n:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:30]1)=[O:33]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 595888758-(4-Amino-3-fluorophenoxy)pyrido[3,2-b]pyrazine-2,3(1H,4H)-dioneHCID 866479003-tert-butyl-5-isocyanato-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole

생성물 1

HCID 441318811-(3-tert-butyl-1-(4-(methylsulfonyl)phenyl)-1H-pyrazol-5-yl)-3-(4-(2,3-dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)urea

출처 및 근거

ORD 기록
ord-074cb97463b5483a9a83a61916d0919d
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D

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