3-Mercaptopropionic Acid → 11-(2-Carboxyethylthio)-2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine

HRID 208205

반응식

HRID 208205 반응식
[Cl:1][c:2]1[c:3]([F:35])[cH:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][O:13][c:14]3[cH:15][c:16]4[c:17]([cH:33][cH:34]3)[O:18][CH2:19][c:20]3[c:21]([cH:24][cH:25][c:26]([CH2:28][CH2:29][C:30]([CH3:31])=[O:32])[cH:27]3)[CH:22]4[OH:23])[n:9][c:10]2[cH:11]1.[SH:36][CH2:37][CH2:38][C:39](=[O:40])[OH:41]>>[Cl:1][c:2]1[c:3]([F:35])[cH:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][O:13][c:14]3[cH:15][c:16]4[c:17]([cH:33][cH:34]3)[O:18][CH2:19][c:20]3[c:21]([cH:24][cH:25][c:26]([CH2:28][CH2:29][C:30]([CH3:31])=[O:32])[cH:27]3)[CH:22]4[S:36][CH2:37][CH2:38][C:39](=[O:40])[OH:41])[n:9][c:10]2[cH:11]1

참가 물질

3

반응물 2

HCID 65143-Mercaptopropionic AcidHCID 233591362-(7-Chloro-6-fluoroquinolin-2-yl)methoxy-11-hydroxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine

생성물 1

HCID 2335916411-(2-Carboxyethylthio)-2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine

출처 및 근거

ORD 기록
ord-18bd6c7dcd3148cb9ae366882b38da35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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