Citric Acid → 4-chloro-5-[(methyloxy)carbonyl]-1H-pyrrole-3-carboxylic acid
반응식
[CH2:13]1[CH2:16][CH2:15][CH2:14][O:17]1.[CH3:35][C:36]([OH:37])([CH3:38])[CH3:39].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl+:18]([O-:19])[O-:20].[Cl:1][c:2]1[c:3]([C:9](=[O:10])[O:11][CH3:12])[nH:4][cH:5][c:6]1[CH:7]=[O:8].[Na+:21].[OH2:40].[OH:22][C:23]([CH2:24][C:25]([C:26](=[O:27])[OH:28])([CH2:29][C:30](=[O:31])[OH:32])[OH:33])=[O:34]>>[Cl:1][c:2]1[c:3]([C:9](=[O:10])[O:11][CH3:12])[nH:4][cH:5][c:6]1[C:7](=[O:8])[OH:17]참가 물질
9
출처 및 근거
- ORD 기록
- ord-6024c5d24b69490697426ac054b7577f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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