Ammonium → HCID 67386032, compound

HRID 1144246Notes

Reaction equation

HRID 1144246 reaction equation
[CH2:52]([CH3:53])[N:54]=[C:55]=[O:56].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16](-[c:19]3[c:20]4[c:21]([n:22][c:23]([N:25]5[CH2:26][CH2:27][O:28][CH2:29][CH2:30]5)[n:24]3)[NH:31][CH2:32][CH2:33]4)[cH:17][n:18]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[cH:43][cH:44]1.[Cl-:57].[Cl:1][CH:2]([Cl:3])[CH3:4].[NH4+:58]>>[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16](-[c:19]3[c:20]4[c:21]([n:22][c:23]([N:25]5[CH2:26][CH2:27][O:28][CH2:29][CH2:30]5)[n:24]3)[N:31]([C:55]([NH:54][CH2:52][CH3:53])=[O:56])[CH2:32][CH2:33]4)[cH:17][n:18]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[cH:43][cH:44]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 63651,1-DichloroethaneHCID 8022Ethyl isocyanateHCID 8471TriethylamineHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Product 1

HCID 67386032HCID 67386032, compound

Sources & evidence

ORD record
ord-9ea74024d4ce4b8496c0cf98fee8f90c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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