Methanol → HCID 9795239, 화합물
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[CH3:22][OH:23].[N:1]#[C:2][Br:3].[c:4]1([CH:10]2[NH:11][CH2:12][CH2:13][NH:14][CH2:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[N:1]#[C:2][N:14]1[CH2:13][CH2:12][NH:11][CH:10]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:17]2[c:16]([cH:21][cH:20][cH:19][cH:18]2)[CH2:15]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-6a9f56c58e7b4a7ea4e1ff993c1dbce6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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