Pyridine → 1-(2-{4-[3-Methyl-4-(6-methylpyridin-3-yloxy)-phenylamino]-quinazolin-6-ylamino}-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl)-ethanone

HRID 86886Notes

Reaction equation

HRID 86886 reaction equation
[CH2:49]([Cl:50])[Cl:51].[CH3:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][cH:23][c:24]([NH:27][C:28]4=[N:32][CH:31]5[CH:30]([O:29]4)[CH2:35][NH:34][CH2:33]5)[cH:25][c:26]23)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][n:11][c:12]([CH3:15])[cH:13][cH:14]1.[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH3:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][cH:23][c:24]([NH:27][C:28]4=[N:32][CH:31]5[CH:30]([O:29]4)[CH2:35][N:34]([C:37]([CH3:36])=[O:38])[CH2:33]5)[cH:25][c:26]23)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][n:11][c:12]([CH3:15])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 11677093N4-[3-Methyl-4-(6-methylpyridin-3-yloxy)-phenyl]-N6-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]oxazol-2-yl)-quinazoline-4,6-diamine

Product 1

HCID 116706841-(2-{4-[3-Methyl-4-(6-methylpyridin-3-yloxy)-phenylamino]-quinazolin-6-ylamino}-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl)-ethanone

Sources & evidence

ORD record
ord-954813fb23b644fe8cdd907a5bdc52ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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