HCID 7975712, compound → HCID 59244474, compound

HRID 136627Notes

Reaction equation

HRID 136627 reaction equation
[Br:41][c:42]1[cH:43][c:44]([S:45]([N:46]2[CH2:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH2:53]2)(=[O:54])=[O:55])[cH:56][cH:57][cH:58]1.[CH2:59]([CH3:60])[N:61]1[CH2:62][CH2:63][N:64]([S:67](=[O:68])(=[O:69])[c:70]2[cH:71][c:72]([N:76]3[CH2:77][CH2:78][c:79]4[c:80]3[n:81][c:82]([N:110]3[CH2:111][CH2:112][O:113][CH2:114][CH2:115]3)[n:83][c:84]4-[c:85]3[cH:86][n:87][c:88]([N:91]([CH2:92][c:93]4[cH:94][cH:95][c:96]([O:97][CH3:98])[cH:99][cH:100]4)[CH2:101][c:102]4[cH:103][cH:104][c:105]([O:106][CH3:107])[cH:108][cH:109]4)[n:89][cH:90]3)[cH:73][cH:74][cH:75]2)[CH2:65][CH2:66]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>>[CH2:59]([CH3:60])[N:61]1[CH2:62][CH2:63][N:64]([S:67](=[O:68])(=[O:69])[c:70]2[cH:71][c:72]([N:76]3[CH2:77][CH2:78][c:79]4[c:80]3[n:81][c:82]([N:110]3[CH2:111][CH2:112][O:113][CH2:114][CH2:115]3)[n:83][c:84]4-[c:85]3[cH:86][n:87][c:88]([NH2:91])[n:89][cH:90]3)[cH:73][cH:74][cH:75]2)[CH2:65][CH2:66]1

Participants

4

Reactant 3

HCID 7975712HCID 7975712, compoundHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67386192HCID 67386192, compound

Product 1

HCID 59244474HCID 59244474, compound

Sources & evidence

ORD record
ord-f6e0bb27d3d14c5b812e6b9fac4ce447
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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