Water → 4-{2-[(4-Bromophenyl)amino]-1-methylbenzimidazol-5-yloxy}pyridine-2-carboxylic acid

HRID 284099

반응식

HRID 284099 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH3:14])[cH:15][cH:16][c:17]([O:19][c:20]2[cH:21][c:22]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[n:23][cH:24][cH:25]2)[cH:18]3)[cH:6][cH:7]1.[OH2:33].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH3:14])[cH:15][cH:16][c:17]([O:19][c:20]2[cH:21][c:22]([C:26](=[O:27])[OH:28])[n:23][cH:24][cH:25]2)[cH:18]3)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 22041284Tert-butyl 4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yloxy}pyridine-2-carboxylate

생성물 1

HCID 220406464-{2-[(4-Bromophenyl)amino]-1-methylbenzimidazol-5-yloxy}pyridine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-76ebdde08f5041c3b6b88b3e6b19377f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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