Methyl 3-bromobenzoate → HCID 59244356, compound

HRID 150191Notes

Reaction equation

HRID 150191 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: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.[CH3:41][O:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][cH:48][c:49]([Br:50])[cH:51]1.[CH3:52][O:53][C:54]([c:55]1[cH:56][c:57]([N:61]2[CH2:62][CH2:63][c:64]3[c:65]2[n:66][c:67]([N:95]2[CH2:96][CH2:97][O:98][CH2:99][CH2:100]2)[n:68][c:69]3-[c:70]2[cH:71][n:72][c:73]([N:76]([CH2:77][c:78]3[cH:79][cH:80][c:81]([O:82][CH3:83])[cH:84][cH:85]3)[CH2:86][c:87]3[cH:88][cH:89][c:90]([O:91][CH3:92])[cH:93][cH:94]3)[n:74][cH:75]2)[cH:58][cH:59][cH:60]1)=[O:101]>>[CH3:52][O:53][C:54]([c:55]1[cH:56][c:57]([N:61]2[CH2:62][CH2:63][c:64]3[c:65]2[n:66][c:67]([N:95]2[CH2:96][CH2:97][O:98][CH2:99][CH2:100]2)[n:68][c:69]3-[c:70]2[cH:71][n:72][c:73]([NH2:76])[n:74][cH:75]2)[cH:58][cH:59][cH:60]1)=[O:101]

Participants

4

Reactant 3

HCID 12070Methyl 3-bromobenzoateHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67386308HCID 67386308, compound

Product 1

HCID 59244356HCID 59244356, compound

Sources & evidence

ORD record
ord-878cb47e50494470abef20477061d871
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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