3-(Trifluoromethyl)phenyl isocyanate → HCID 59244218, compound

HRID 313137Notes

Reaction equation

HRID 313137 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.[F:41][C:42]([F:43])([F:44])[c:45]1[cH:46][c:47]([N:48]=[C:49]=[O:50])[cH:51][cH:52][cH:53]1.[F:54][C:55]([c:56]1[cH:57][c:58]([NH:62][C:63](=[O:64])[N:65]2[CH2:66][CH2:67][c:68]3[c:69]2[n:70][c:71]([N:99]2[CH2:100][CH2:101][O:102][CH2:103][CH2:104]2)[n:72][c:73]3-[c:74]2[cH:75][n:76][c:77]([N:80]([CH2:81][c:82]3[cH:83][cH:84][c:85]([O:86][CH3:87])[cH:88][cH:89]3)[CH2:90][c:91]3[cH:92][cH:93][c:94]([O:95][CH3:96])[cH:97][cH:98]3)[n:78][cH:79]2)[cH:59][cH:60][cH:61]1)([F:105])[F:106]>>[F:54][C:55]([c:56]1[cH:57][c:58]([NH:62][C:63](=[O:64])[N:65]2[CH2:66][CH2:67][c:68]3[c:69]2[n:70][c:71]([N:99]2[CH2:100][CH2:101][O:102][CH2:103][CH2:104]2)[n:72][c:73]3-[c:74]2[cH:75][n:76][c:77]([NH2:80])[n:78][cH:79]2)[cH:59][cH:60][cH:61]1)([F:105])[F:106]

Participants

4

Reactant 3

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67386191HCID 67386191, compound

Product 1

HCID 59244218HCID 59244218, compound

Sources & evidence

ORD record
ord-bb259ff0959747c6a1d284e7ceb6d7ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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