Sodium ion → 2-Amino-3-{4-[6-(3-cyclopentyloxy-4-methoxy-benzylamino)-pyrimidin-4-yl]-phenyl}-propionic acid

HRID 140184

반응식

HRID 140184 반응식
[B:24]([OH:25])([OH:26])[c:27]1[cH:28][cH:29][c:30]([CH2:31][CH:32]([NH2:33])[C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[cH:3][c:4]([NH:8][CH2:9][c:10]2[cH:11][c:12]([O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:5][cH:6][n:7]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[c:2]1(-[c:27]2[cH:28][cH:29][c:30]([CH2:31][CH:32]([NH2:33])[C:34](=[O:35])[OH:36])[cH:37][cH:38]2)[cH:3][c:4]([NH:8][CH2:9][c:10]2[cH:11][c:12]([O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:5][cH:6][n:7]1

참가 물질

6

출처 및 근거

ORD 기록
ord-6b43ed80684743d6a83b0991a5fa21ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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