HCID 17199617, compound → HCID 59244335, compound

HRID 681002Notes

Reaction equation

HRID 681002 reaction equation
[Br:41][c:42]1[cH:43][c:44]([C:49]([NH:50][CH2:51][c:52]2[cH:53][n:54][cH:55][cH:56][cH:57]2)=[O:58])[cH:45][cH:46][c:47]1[CH3:48].[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.[CH3:59][O:60][c:61]1[cH:62][cH:63][c:64]([CH2:65][N:66]([c:67]2[n:68][cH:69][c:70](-[c:73]3[c:74]4[c:75]([n:76][c:77]([N:79]5[CH2:80][CH2:81][O:82][CH2:83][CH2:84]5)[n:78]3)[N:85]([c:88]3[cH:89][c:90]([C:91](=[O:92])[NH:93][CH2:94][c:95]5[cH:96][n:97][cH:98][cH:99][cH:100]5)[cH:101][cH:102][c:103]3[CH3:104])[CH2:86][CH2:87]4)[cH:71][n:72]2)[CH2:105][c:106]2[cH:107][cH:108][c:109]([O:110][CH3:111])[cH:112][cH:113]2)[cH:114][cH:115]1>>[NH2:66][c:67]1[n:68][cH:69][c:70](-[c:73]2[c:74]3[c:75]([n:76][c:77]([N:79]4[CH2:80][CH2:81][O:82][CH2:83][CH2:84]4)[n:78]2)[N:85]([c:88]2[cH:89][c:90]([C:91](=[O:92])[NH:93][CH2:94][c:95]4[cH:96][n:97][cH:98][cH:99][cH:100]4)[cH:101][cH:102][c:103]2[CH3:104])[CH2:86][CH2:87]3)[cH:71][n:72]1

Participants

4

Reactant 3

HCID 17199617HCID 17199617, compoundHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67386489HCID 67386489, compound

Product 1

HCID 59244335HCID 59244335, compound

Sources & evidence

ORD record
ord-2b26fd5005344ceb83c7837431bb85f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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