Methanol → 4-(6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-yl)-2-iodo-phenol
반응식
[CH3:27][OH:28].[Cl:24][O-:25].[I-:20].[Na+:21].[Na+:23].[Na+:26].[OH-:22].[n:1]1[cH:2][cH:3][c:4]2[n:5][c:6]3[c:10]([c:11](-[c:13]4[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]4)[n:12]12)[CH2:9][CH2:8][CH2:7]3>>[n:1]1[cH:2][cH:3][c:4]2[n:5][c:6]3[c:10]([c:11](-[c:13]4[cH:14][c:15]([I:20])[c:16]([OH:19])[cH:17][cH:18]4)[n:12]12)[CH2:9][CH2:8][CH2:7]3참가 물질
7
출처 및 근거
- ORD 기록
- ord-6a730b96b50645d38992734b84403cdd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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