Imidazole → HCID 22347277, compound

HRID 2126581Notes

Reaction equation

HRID 2126581 reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][n:8]1[n:9][c:10](-[c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([NH:24][C:25](=[O:26])[c:27]3[n:28]([CH3:36])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[cH:35]3)[cH:22][cH:23]2)[c:11]2[c:12]1[n:13][cH:14][n:15][c:16]2[NH2:17])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[I-:52].[Na+:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[nH:39]1[cH:40][n:41][cH:42][cH:43]1>>[CH2:6]([CH2:7][n:8]1[n:9][c:10](-[c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([NH:24][C:25](=[O:26])[c:27]3[n:28]([CH3:36])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[cH:35]3)[cH:22][cH:23]2)[c:11]2[c:12]1[n:13][cH:14][n:15][c:16]2[NH2:17])[n:39]1[cH:40][n:41][cH:42][cH:43]1

Participants

8

Reactant 7

HCID 795ImidazoleHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 223468312-[4-amino-3-(3-methoxy-4-{[(1-methyl-1H-2-indolyl)carbonyl]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl methanesulfonate

Product 1

HCID 22347277HCID 22347277, compound

Sources & evidence

ORD record
ord-c6219769c38b4664a6426f190631441f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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