Ammonium → HCID 59244831, compound

HRID 677084Notes

Reaction equation

HRID 677084 reaction equation
[CH3:51][C:52](=[O:53])[O:54][C:55](=[O:56])[CH3:57].[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-:58].[Cl:1][CH:2]([Cl:3])[CH3:4].[NH4+:59].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[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:52]([CH3:51])=[O:53])[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 1049PyridineHCID 63651,1-DichloroethaneHCID 7918Acetic AnhydrideHCID 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 59244831HCID 59244831, compound

Sources & evidence

ORD record
ord-7fe730d298004b3a8315428954e68963
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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