Phenyl isocyanate → HCID 59244674, compound

HRID 204252Notes

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

Participants

Reactant 3

HCID 7672Phenyl isocyanate

HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

HCID 67386598HCID 67386598, compound

Product 1

HCID 59244674HCID 59244674, compound

Sources & evidence

ORD record: ord-6344cb28a53341479a908c141d5e885a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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