Water → 2-chloro-9-ethyl-6-(3-fluoro-phenyl-amino)-9H-purine

HRID 1136429

반응식

HRID 1136429 반응식
[C:19](=[O:20])([O-:21])[O-:22].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[Cs+:23].[Cs+:24].[I:25][CH2:26][CH3:27].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH2:33]>>[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:5]2[n:6][cH:7][n:8]([CH2:26][CH3:27])[c:9]2[n:10]1

참가 물질

9

출처 및 근거

ORD 기록
ord-a537fc48d20f4c0bb8a671be108bb00b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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