Sodium Ion → 2-[4-(4-Acetyl-piperazin-1-ylmethyl)-3-methyl-pyridin-2-ylamino]-thiazole-5-carbonitrile
반응식
[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[Cl:21][c:22]1[s:23][c:24]([C:27]#[N:28])[cH:25][n:26]1.[H-:2].[NH2:3][c:4]1[n:5][cH:6][cH:7][c:8]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:18]([CH3:19])=[O:20])[CH2:16][CH2:17]2)[c:9]1[CH3:10].[Na+:1]>>[NH:3]([c:4]1[n:5][cH:6][cH:7][c:8]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:18]([CH3:19])=[O:20])[CH2:16][CH2:17]2)[c:9]1[CH3:10])[c:22]1[s:23][c:24]([C:27]#[N:28])[cH:25][n:26]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-12af6d639c0c452f9d2114657ea94b1a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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