Hydrochloric Acid → 5-(6-(3,3-dimethylpiperidine-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
반응식
[B-:45]([F:46])([F:47])([F:48])[F:49].[CH3:30][C:31]1([CH3:37])[CH2:32][NH:33][CH2:34][CH2:35][CH2:36]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[ClH:1].[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[N:33]4[CH2:32][C:31]([CH3:30])([CH3:37])[CH2:36][CH2:35][CH2:34]4)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-42a7f5be069543319742da4578a6d243
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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