Toluene → 4-[1-(2-Dimethylamino-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid tert-butyl ester

HRID 669755

反応式

HRID 669755 の反応式
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]1.[CH3:1][N:2]([c:3]1[c:4](-[n:13]2[n:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[OH:22])[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:8]1)[CH3:23].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:57]=[C:58]([O:59][CH:60]([CH3:61])[CH3:62])[N:63]=[N:64][C:65]([O:66][CH:67]([CH3:68])[CH3:69])=[O:70].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH3:1][N:2]([c:3]1[c:4](-[n:13]2[n:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[O:22][CH:34]2[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]2)[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:8]1)[CH3:23]

参加物

6

反応物 5

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 643502Tert-butyl 4-hydroxypiperidine-1-carboxylateHCID 178482971HCID 178482971、化合物

生成物 1

HCID 536304064-[1-(2-Dimethylamino-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid tert-butyl ester

出典と根拠

ORDレコード
ord-507be274a16742218fd09530e9126f40
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

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