3-((4-Methyl-1-piperazinyl)carbonyl)aniline → 4-(2-aminopyrimidin-5-yl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide

HRID 311854Notes

Reaction equation

HRID 311854 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.[CH3:57][N:58]1[CH2:59][CH2:60][N:61]([C:64](=[O:65])[c:66]2[cH:67][c:68]([NH:72][C:73](=[S:74])[N:75]3[CH2:76][CH2:77][c:78]4[c:79]3[n:80][c:81]([N:109]3[CH2:110][CH2:111][O:112][CH2:113][CH2:114]3)[n:82][c:83]4-[c:84]3[cH:85][n:86][c:87]([N:90]([CH2:91][c:92]4[cH:93][cH:94][c:95]([O:96][CH3:97])[cH:98][cH:99]4)[CH2:100][c:101]4[cH:102][cH:103][c:104]([O:105][CH3:106])[cH:107][cH:108]4)[n:88][cH:89]3)[cH:69][cH:70][cH:71]2)[CH2:62][CH2:63]1.[NH2:41][c:42]1[cH:43][c:44]([C:45]([N:46]2[CH2:47][CH2:48][N:49]([CH3:50])[CH2:51][CH2:52]2)=[O:53])[cH:54][cH:55][cH:56]1>>[CH3:57][N:58]1[CH2:59][CH2:60][N:61]([C:64](=[O:65])[c:66]2[cH:67][c:68]([NH:72][C:73](=[S:74])[N:75]3[CH2:76][CH2:77][c:78]4[c:79]3[n:80][c:81]([N:109]3[CH2:110][CH2:111][O:112][CH2:113][CH2:114]3)[n:82][c:83]4-[c:84]3[cH:85][n:86][c:87]([NH2:90])[n:88][cH:89]3)[cH:69][cH:70][cH:71]2)[CH2:62][CH2:63]1

Participants

4

Reactant 3

HCID 167732183-((4-Methyl-1-piperazinyl)carbonyl)anilineHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 87380393HCID 87380393, compound

Product 1

HCID 592443434-(2-aminopyrimidin-5-yl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide

Sources & evidence

ORD record
ord-9c86d69583c04819a79b8b53919c3dfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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