1,4-Benzodioxane-6-carboxylic Acid → 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid[2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-amide
반응식
[CH3:1][c:2]1[c:3]([NH2:19])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1.[O:20]1[CH2:21][CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([C:30](=[O:31])[OH:32])[cH:29]2>>[CH3:1][c:2]1[c:3]([NH:19][C:30]([c:28]2[cH:27][cH:26][c:25]3[c:24]([cH:29]2)[O:23][CH2:22][CH2:21][O:20]3)=[O:31])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-105dff9a386c4591971f25c6c62c6c39
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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