N,N-Dimethyl-1,3-propanediamine → HCID 59244744, compound

HRID 288637Notes

Reaction equation

HRID 288637 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][CH2:55][NH2:56].[CH3:57][O:58][c:59]1[cH:60][cH:61][c:62]([CH2:63][N:64]([c:65]2[n:66][cH:67][c:68](-[c:71]3[c:72]4[c:73]([n:74][c:75]([N:77]5[CH2:78][CH2:79][O:80][CH2:81][CH2:82]5)[n:76]3)[N:83]([c:86]3[cH:87][cH:88][c:89]([C:90](=[O:91])[NH:92][CH2:93][CH2:94][CH2:95][N:96]([CH3:97])[CH3:98])[cH:99][cH:100]3)[CH2:84][CH2:85]4)[cH:69][n:70]2)[CH2:101][c:102]2[cH:103][cH:104][c:105]([O:106][CH3:107])[cH:108][cH:109]2)[cH:110][cH:111]1>>[NH2:64][c:65]1[n:66][cH:67][c:68](-[c:71]2[c:72]3[c:73]([n:74][c:75]([N:77]4[CH2:78][CH2:79][O:80][CH2:81][CH2:82]4)[n:76]2)[N:83]([c:86]2[cH:87][cH:88][c:89]([C:90](=[O:91])[NH:92][CH2:93][CH2:94][CH2:95][N:96]([CH3:97])[CH3:98])[cH:99][cH:100]2)[CH2:84][CH2:85]3)[cH:69][n:70]1

Participants

4

Reactant 3

HCID 7993N,N-Dimethyl-1,3-propanediamineHCID 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 67385792HCID 67385792, compound

Product 1

HCID 59244744HCID 59244744, compound

Sources & evidence

ORD record
ord-557a477723a4448bb6caa7874f2b29da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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