Acetic Acid → 2-Amino-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
반응식
[BrH:25].[C:14]([C:15]([C:16]#[N:17])=[C:18]([NH:19][C:20]#[N:21])[S:22][CH3:23])#[N:24].[CH2:27]1[CH2:28][NH:29][CH2:30][CH2:31][c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2.[CH3:40][C:41](=[O:42])[OH:43].[ClH:26].[NH2:1][c:2]1[n:3][c:4]([S:11][CH3:12])[c:5]([C:9]#[N:10])[c:6]([Br:8])[n:7]1.[Na+:39].[Na:13].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:38]>>[NH2:1][c:2]1[n:3][c:4]([S:11][CH3:12])[c:5]([C:9]#[N:10])[c:6]([N:29]2[CH2:28][CH2:27][c:33]3[c:32]([cH:37][cH:36][cH:35][cH:34]3)[CH2:31][CH2:30]2)[n:7]1참가 물질
11
반응물 10
생성물 1
출처 및 근거
- ORD 기록
- ord-98dd49edc02b44f6afe2a4dcf4586f4f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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