2-Methyl-5-(4-methylpiperazin-1-yl)benzenamine → 4-(2-aminopyrimidin-5-yl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16][cH:17]2)[c:18]2[n:19][cH:20][c:21](-[c:22]3[c:23]4[c:27]([n:28][c:29]([N:30]5[CH2:31][CH2:32][O:33][CH2:34][CH2:35]5)[n:36]3)[NH:26][CH2:25][CH2:24]4)[cH:37][n:38]2)[cH:39][cH:40]1.[CH3:41][c:42]1[cH:43][cH:44][c:45]([N:46]2[CH2:47][CH2:48][N:49]([CH3:50])[CH2:51][CH2:52]2)[cH:53][c:54]1[NH2:55].[CH3:56][c:57]1[c:58]([NH:70][C:71](=[S:72])[N:73]2[CH2:74][CH2:75][c:76]3[c:77]2[n:78][c:79]([N:107]2[CH2:108][CH2:109][O:110][CH2:111][CH2:112]2)[n:80][c:81]3-[c:82]2[cH:83][n:84][c:85]([N:88]([CH2:89][c:90]3[cH:91][cH:92][c:93]([O:94][CH3:95])[cH:96][cH:97]3)[CH2:98][c:99]3[cH:100][cH:101][c:102]([O:103][CH3:104])[cH:105][cH:106]3)[n:86][cH:87]2)[cH:59][c:60]([N:63]2[CH2:64][CH2:65][N:66]([CH3:69])[CH2:67][CH2:68]2)[cH:61][cH:62]1>>[CH3:56][c:57]1[c:58]([NH:70][C:71](=[S:72])[N:73]2[CH2:74][CH2:75][c:76]3[c:77]2[n:78][c:79]([N:107]2[CH2:108][CH2:109][O:110][CH2:111][CH2:112]2)[n:80][c:81]3-[c:82]2[cH:83][n:84][c:85]([NH2:88])[n:86][cH:87]2)[cH:59][c:60]([N:63]2[CH2:64][CH2:65][N:66]([CH3:69])[CH2:67][CH2:68]2)[cH:61][cH:62]1Participants
4
Reactant 3
HCID 249941402-Methyl-5-(4-methylpiperazin-1-yl)benzenamine
HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine
HCID 873804554-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamideProduct 1
Sources & evidence
- ORD record
- ord-0974ea0797c5498bb56186612e4b0886
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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