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Dimethylformamide → morpholine-4-carboxylic acid (4-{[3-fluoro-2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

HRID 2323308
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HRID 2323308 반응식
[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20]([CH3:24])[n:21][c:22]4[cH:23]3)[c:25]([F:29])[cH:26][cH:27][cH:28]2)[cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[Cs+:39].[Cs+:40].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[O:41]1[CH2:42][CH2:43][N:44]([C:47](=[O:48])[NH2:49])[CH2:45][CH2:46]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[c:2]1([NH:49][C:47]([N:44]2[CH2:43][CH2:42][O:41][CH2:46][CH2:45]2)=[O:48])[n:3][cH:4][cH:5][c:6]([CH2:8][NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20]([CH3:24])[n:21][c:22]4[cH:23]3)[c:25]([F:29])[cH:26][cH:27][cH:28]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 75088Morpholine-4-carboxamideHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회
HCID 23118989
2-[(2-Bromo-pyridin-4-ylmethyl)-amino]-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

생성물 1

HCID 11584229morpholine-4-carboxylic acid (4-{[3-fluoro-2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

출처 및 근거

ORD 기록
ord-157e740e6fc144c1b3bdea193fd98f7a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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