HCID 16795691, compound → HCID 59244292, compound

HRID 1230295Notes

Reaction equation

HRID 1230295 reaction equation
[CH2:58]([CH3:59])[N:60]1[CH2:61][CH2:62][N:63]([C:66](=[O:67])[c:68]2[cH:69][c:70]([NH:74][C:75](=[O:76])[N:77]3[CH2:78][CH2:79][c:80]4[c:81]3[n:82][c:83]([N:111]3[CH2:112][CH2:113][O:114][CH2:115][CH2:116]3)[n:84][c:85]4-[c:86]3[cH:87][n:88][c:89]([N:92]([CH2:93][c:94]4[cH:95][cH:96][c:97]([O:98][CH3:99])[cH:100][cH:101]4)[CH2:102][c:103]4[cH:104][cH:105][c:106]([O:107][CH3:108])[cH:109][cH:110]4)[n:90][cH:91]3)[cH:71][cH:72][cH:73]2)[CH2:64][CH2:65]1.[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.[NH2:41][c:42]1[cH:43][c:44]([C:45]([N:46]2[CH2:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH2:53]2)=[O:54])[cH:55][cH:56][cH:57]1>>[CH2:58]([CH3:59])[N:60]1[CH2:61][CH2:62][N:63]([C:66](=[O:67])[c:68]2[cH:69][c:70]([NH:74][C:75](=[O:76])[N:77]3[CH2:78][CH2:79][c:80]4[c:81]3[n:82][c:83]([N:111]3[CH2:112][CH2:113][O:114][CH2:115][CH2:116]3)[n:84][c:85]4-[c:86]3[cH:87][n:88][c:89]([NH2:92])[n:90][cH:91]3)[cH:71][cH:72][cH:73]2)[CH2:64][CH2:65]1

Participants

4

Reactant 3

HCID 16795691HCID 16795691, compoundHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 140547176HCID 140547176, compound

Product 1

HCID 59244292HCID 59244292, compound

Sources & evidence

ORD record
ord-91ce70f59df84dc3820808a9f2ec4f2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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