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 → 4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Reaction equation
[CH2:51]([CH3:52])[N:53]1[CH2:54][CH2:55][N:56]([c:59]2[cH:60][cH:61][c:62]([NH:65][C:66](=[O:67])[N:68]3[CH2:69][CH2:70][c:71]4[c:72]3[n:73][c:74]([N:102]3[CH2:103][CH2:104][O:105][CH2:106][CH2:107]3)[n:75][c:76]4-[c:77]3[cH:78][n:79][c:80]([N:83]([CH2:84][c:85]4[cH:86][cH:87][c:88]([O:89][CH3:90])[cH:91][cH:92]4)[CH2:93][c:94]4[cH:95][cH:96][c:97]([O:98][CH3:99])[cH:100][cH:101]4)[n:81][cH:82]3)[cH:63][cH:64]2)[CH2:57][CH2:58]1.[I:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7]([N:8]2[c:9]3[n:10][c:11]([N:12]4[CH2:13][CH2:14][O:15][CH2:16][CH2:17]4)[n:18][c:19](-[c:20]4[cH:21][n:22][c:23]([N:24]([CH2:25][c:26]5[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]5)[CH2:34][c:35]5[cH:36][cH:37][c:38]([O:39][CH3:40])[cH:41][cH:42]5)[n:43][cH:44]4)[c:45]3[CH2:46][CH2:47]2)=[O:48])[cH:49][cH:50]1>>[CH2:51]([CH3:52])[N:53]1[CH2:54][CH2:55][N:56]([c:59]2[cH:60][cH:61][c:62]([NH:65][C:66](=[O:67])[N:68]3[CH2:69][CH2:70][c:71]4[c:72]3[n:73][c:74]([N:102]3[CH2:103][CH2:104][O:105][CH2:106][CH2:107]3)[n:75][c:76]4-[c:77]3[cH:78][n:79][c:80]([NH2:83])[n:81][cH:82]3)[cH:63][cH:64]2)[CH2:57][CH2:58]1Participants
3
Reactant 2
HCID 592448904-{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
HCID 1405471694-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-49192e158abe44b7a5265a2c1d0d6aed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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