Water → 4-(4-(4-Acetyl-2,6-dimethylphenoxy)-5-benzyl-5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)benzonitrile

HRID 1562067노트

반응식

HRID 1562067 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[n:12][c:13]([Cl:29])[n:14][c:15]([O:17][c:18]3[c:19]([CH3:28])[cH:20][c:21]([C:25]([CH3:26])=[O:27])[cH:22][c:23]3[CH3:24])[c:16]12.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[NH2:30][c:31]1[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]1.[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[n:12][c:13]([NH:30][c:31]3[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]3)[n:14][c:15]([O:17][c:18]3[c:19]([CH3:28])[cH:20][c:21]([C:25]([CH3:26])=[O:27])[cH:22][c:23]3[CH3:24])[c:16]12

참가 물질

5

출처 및 근거

ORD 기록
ord-0c2f9f9f98c64217b37a27cf8f456daf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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