2-(2-Amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamino)-ethanol → 2-(2-{5-Chloro-4-[2-(pyrrolidine-1-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamino)-ethanol
반응식
[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[c:10]([S:15](=[O:16])(=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:11][cH:12][cH:13][cH:14]2)[n:7]1.[NH2:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([c:39]1[O:40][CH3:41])[CH2:30][CH2:31][CH2:32][CH:33]([NH:35][CH2:36][CH2:37][OH:38])[CH2:34]2>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]3[c:29]([c:39]2[O:40][CH3:41])[CH2:30][CH2:31][CH2:32][CH:33]([NH:35][CH2:36][CH2:37][OH:38])[CH2:34]3)[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[c:10]([S:15](=[O:16])(=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:11][cH:12][cH:13][cH:14]2)[n:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e383c4af0c1c4d7d80512c715d8318c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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