Water → Methyl 2-chlorodibenzo[b,f]oxepin-11-carboxylate

HRID 169680

반응식

HRID 169680 반응식
[CH3:1][O:2][C:3]([C:4](=[CH:5][OH:6])[c:7]1[c:8]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)=[O:21].[CH3:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[OH2:35].[P:36]([O:37][P:38]([OH:39])([OH:40])=[O:41])([OH:42])([OH:43])=[O:44]>>[CH3:1][O:2][C:3]([C:4]1=[CH:5][c:16]2[c:15]([cH:20][cH:19][cH:18][cH:17]2)[O:14][c:8]2[c:7]1[cH:12][c:11]([Cl:13])[cH:10][cH:9]2)=[O:21]

참가 물질

6

출처 및 근거

ORD 기록
ord-33d7a590271645a1840cacb3078e4709
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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