Water → 4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-iodo-phenyl)-amide

HRID 318419Notes

Reaction equation

HRID 318419 reaction equation
[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[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:1][CH:2]([Cl:3])[CH3:4].[I:45][c:46]1[cH:47][cH:48][c:49]([N:52]=[C:53]=[O:54])[cH:50][cH:51]1.[OH2:64]>>[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:53]([NH:52][c:49]3[cH:48][cH:47][c:46]([I:45])[cH:51][cH:50]3)=[O:54])[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

6

Reactant 5

HCID 962WaterHCID 63651,1-DichloroethaneHCID 142844-(Dimethylamino)pyridineHCID 33997871-Iodo-4-isocyanatobenzeneHCID 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 592448904-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-iodo-phenyl)-amide

Sources & evidence

ORD record
ord-a586baa2ef1747a78f49304ddaea3acc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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