2-(2-Amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-ylamino)-ethanol → 2-(2-{5-Chloro-4-[2-(pyrrolidine-1-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-ylamino)-ethanol
반응식
[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:41])[c:24]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[N:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:29][cH:30][cH:31][cH:32]2)[n:25]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:16]1[O:17][CH3:18])[CH2:7][CH2:8][CH:9]([NH:12][CH2:13][CH2:14][OH:15])[CH2:10][CH2:11]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([c:16]1[O:17][CH3:18])[CH2:7][CH2:8][CH:9]([NH:12][CH2:13][CH2:14][OH:15])[CH2:10][CH2:11]2)[c:20]1[n:21][cH:22][c:23]([Cl:41])[c:24]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[N:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:29][cH:30][cH:31][cH:32]2)[n:25]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d4f4de6baff64000b11f1ac7a5259882
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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