Acetate → tert-butyl 3-methyl-12-oxo-13-oxa-2,5,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene-5-carboxylate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]([Br:24])[c:15]([CH2:22][OH:23])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:25]=[O:26].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][OH:64].[P:27]([CH2:28][CH2:29][CH2:30][P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Pd+2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]4[c:15]([n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1)[CH2:22][O:23][C:63]4=[O:64]참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-581b7664a552478a824a5837ed50a33c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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