Acetic Acid → HCID 86618229, 화합물

HRID 702624

반응식

HRID 702624 반응식
[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][C:42](=[O:43])[OH:44].[F:1][C:2]([C:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[OH:18])([F:19])[F:20].[NH2:21][c:22]1[c:23]2[cH:24][cH:25][c:26]([CH3:32])[n:27][c:28]2[cH:29][cH:30][cH:31]1.[OH2:33]>>[F:1][C:2]([C:3]([C:4]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)=[N:21][c:22]1[c:23]2[cH:24][cH:25][c:26]([CH3:32])[n:27][c:28]2[cH:29][cH:30][cH:31]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[OH:18])([F:19])[F:20]

참가 물질

6

출처 및 근거

ORD 기록
ord-1223de14b03a40d9add47cd341833497
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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