Sodium ion → 7-[4-(4-Chlorobenzoyl)benzyl]-1-fluoromethyl-3-methylxanthine

HRID 1128460

반응식

HRID 1128460 반응식
[CH3:1][n:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[c:6]2[n:7]([CH2:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]4)=[O:26])[cH:16][cH:17]3)[cH:8][n:9][c:10]12.[F:31][CH2:32][Br:33].[H-:29].[Na+:30].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:39]>>[CH3:1][n:2]1[c:3](=[O:28])[n:4]([CH2:32][F:31])[c:5](=[O:27])[c:6]2[n:7]([CH2:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]4)=[O:26])[cH:16][cH:17]3)[cH:8][n:9][c:10]12

참가 물질

7

출처 및 근거

ORD 기록
ord-6d1ac361bf7a48f0bcff634f0d97f7bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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