(4-Bromo-3-methylphenyl)(pyrrolidin-1-yl)methanone → HCID 59244548, compound

HRID 183344Notes

Reaction equation

HRID 183344 reaction equation
[Br:41][c:42]1[cH:43][cH:44][c:45]([C:46]([N:47]2[CH2:48][CH2:49][CH2:50][CH2:51]2)=[O:52])[cH:53][c:54]1[CH3:55].[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.[CH3:56][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[c:86]([CH3:98])[cH:87][c:88]([C:91](=[O:92])[N:93]5[CH2:94][CH2:95][CH2:96][CH2:97]5)[cH:89][cH:90]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[c:86]([CH3:98])[cH:87][c:88]([C:91](=[O:92])[N:93]4[CH2:94][CH2:95][CH2:96][CH2:97]4)[cH:89][cH:90]2)[CH2:83][CH2:84]3)[cH:68][n:69]1

Participants

4

Reactant 3

HCID 18960561(4-Bromo-3-methylphenyl)(pyrrolidin-1-yl)methanoneHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67385437HCID 67385437, compound

Product 1

HCID 59244548HCID 59244548, compound

Sources & evidence

ORD record
ord-b33834dd5a1d4431936d1e60d7d5b576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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