Bicarbonate Ion → 8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
반응식
[CH2:1]([O:3][C:4](=[O:2])[c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([Cl:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[CH3:5].[CH3:28][N:29]1[CH2:30][CH2:31][N:32]([CH2:35][c:36]2[cH:37][cH:38][c:39]([NH:42][C:43]([c:44]3[c:45]4[n:46][cH:47][cH:48][n:49][c:50]4[c:51](-[c:52]4[c:53]([Cl:54])[c:55]([O:56][CH3:57])[cH:58][c:59]([O:60][CH3:61])[c:62]4[Cl:63])[cH:64][cH:65]3)=[O:66])[n:40][cH:41]2)[CH2:33][CH2:34]1.[CH3:67][Al:68]([CH3:69])[CH3:70].[Cl:76][CH2:77][Cl:78].[Na+:75].[O-:71][C:72]([OH:73])=[O:74]>>[O:3]=[C:4]([c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([Cl:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[NH:42][c:39]1[cH:38][cH:37][c:36]([CH2:35][N:32]2[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]2)[cH:41][n:40]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-acebbfcc4df5414aa0cb0430ab3de6c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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