Dichloromethane → 3-(4-(3-(2-(Trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid

HRID 1137858

반응식

HRID 1137858 반응식
[Cl:44][CH2:45][Cl:46].[F:1][C:2]([c:3]1[c:4]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[n:19][n:20][c:21]4[n:22]3[n:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:16][cH:17]2)=[O:34])[cH:5][cH:6][cH:7][cH:8]1)([F:35])[F:36].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[F:1][C:2]([c:3]1[c:4]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[n:19][n:20][c:21]4[n:22]3[n:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[OH:29])[cH:16][cH:17]2)=[O:34])[cH:5][cH:6][cH:7][cH:8]1)([F:35])[F:36]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 58137778Tert-butyl 3-(4-(3-(2-(trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate

생성물 1

HCID 581377793-(4-(3-(2-(Trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid

출처 및 근거

ORD 기록
ord-dce2c9fc3b7f4355b77b64c21446651b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

불러오는 중…