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Acetate → 4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-pyridin-3-yl-phenyl)-amide

HRID 820085
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HRID 820085 반응식
[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[I:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][c:14]3[c:15]2[n:16][c:17]([N:45]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[n:18][c:19]3-[c:20]2[cH:21][n:22][c:23]([N:26]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[CH2:36][c:37]3[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]3)[n:24][cH:25]2)[cH:6][cH:7]1.[K+:65].[K+:66].[K+:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:68].[P:60]([O-:61])([O-:62])([O-:63])=[O:64].[Pd+2:78].[n:51]1[cH:52][c:53]([B:57]([OH:58])[OH:59])[cH:54][cH:55][cH:56]1>>[c:2]1(-[c:53]2[cH:52][n:51][cH:56][cH:55][cH:54]2)[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][c:14]3[c:15]2[n:16][c:17]([N:45]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[n:18][c:19]3-[c:20]2[cH:21][n:22][c:23]([N:26]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[CH2:36][c:37]3[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]3)[n:24][cH:25]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 813Potassium Cation3회HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acid
HCID 59244890
4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-iodo-phenyl)-amide

생성물 1

HCID 673858194-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-pyridin-3-yl-phenyl)-amide

출처 및 근거

ORD 기록
ord-803670d97ffe44f5a1db85a47e001f70
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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