N,N-Dimethylethylenediamine → HCID 59244874, compound

HRID 205955Notes

Reaction equation

HRID 205955 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:36]([n:37][c:38]([N:39]5[CH2:40][CH2:41][O:42][CH2:43][CH2:44]5)[n:45]3)[N:26]([c:27]3[cH:28][cH:29][c:30]([C:31]([OH:32])=[O:33])[cH:34][cH:35]3)[CH2:25][CH2:24]4)[cH:46][n:47]2)[cH:48][cH:49]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][NH2:55].[CH3:56][O:57][c:58]1[cH:59][cH:60][c:61]([CH2:62][N:63]([c:64]2[n:65][cH:66][c:67](-[c:70]3[c:71]4[c:72]([n:73][c:74]([N:76]5[CH2:77][CH2:78][O:79][CH2:80][CH2:81]5)[n:75]3)[N:82]([c:85]3[cH:86][cH:87][c:88]([C:89](=[O:90])[NH:91][CH2:92][CH2:93][N:94]([CH3:95])[CH3:96])[cH:97][cH:98]3)[CH2:83][CH2:84]4)[cH:68][n:69]2)[CH2:99][c:100]2[cH:101][cH:102][c:103]([O:104][CH3:105])[cH:106][cH:107]2)[cH:108][cH:109]1>>[NH2:63][c:64]1[n:65][cH:66][c:67](-[c:70]2[c:71]3[c:72]([n:73][c:74]([N:76]4[CH2:77][CH2:78][O:79][CH2:80][CH2:81]4)[n:75]2)[N:82]([c:85]2[cH:86][cH:87][c:88]([C:89](=[O:90])[NH:91][CH2:92][CH2:93][N:94]([CH3:95])[CH3:96])[cH:97][cH:98]2)[CH2:83][CH2:84]3)[cH:68][n:69]1

Participants

4

Reactant 3

HCID 66053N,N-DimethylethylenediamineHCID 592448874-(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-yl)-benzoic acidHCID 140547163HCID 140547163, compound

Product 1

HCID 59244874HCID 59244874, compound

Sources & evidence

ORD record
ord-5e6b57f4e65842f28bbc03f72df76641
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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