Ethanol → N-cyclopropyl-3-(1-(ethylthio)phthalazin-6-yl)-4-methylbenzamide
반응식
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([S:12][CH2:13][CH3:14])[c:9]2[cH:10][cH:11]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][CH2:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:15]1([NH:18][C:19]([c:20]2[cH:21][c:22]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[c:23]([CH3:26])[cH:24][cH:25]2)=[O:36])[CH2:16][CH2:17]1.[K+:41].[K+:42].[Pd:58].[c:116]1([P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131][cH:132][cH:133][cH:134]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:22]2[cH:21][c:20]([C:19]([NH:18][CH:15]3[CH2:16][CH2:17]3)=[O:36])[cH:25][cH:24][c:23]2[CH3:26])[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([S:12][CH2:13][CH3:14])[c:9]2[cH:10][cH:11]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-e2a53355238b46bb8d5cc51b9a7f9516
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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