Water → 2-Chloro-N-(3-chlorophenyl)-9-isopropyl-9H-purin-6-amine

HRID 138270

반응식

HRID 138270 반응식
[C:19](=[O:20])([O-:21])[O-:22].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:25]([CH3:26])([CH3:27])[I:28].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][c:14]([Cl: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].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH2:34]>>[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[c:5]2[n:6][cH:7][n:8]([CH:25]([CH3:26])[CH3:27])[c:9]2[n:10]1

참가 물질

9

출처 및 근거

ORD 기록
ord-a3b3b8742177431085b2f34fbbcde5f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…