Acetonitrile → HCID 67237297, compound

HRID 2142613Notes

Reaction equation

HRID 2142613 reaction equation
[CH2:31]([CH3:32])[N:33]=[C:34]=[O:35].[CH3:36][C:37]#[N:38].[NH2:1][CH2:2][CH:3]1[CH2:4][CH:5]([n:7]2[cH:8][c:9](-[c:17]3[cH:18][c:19]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20][cH:21][cH:22]3)[c:10]3[c:11]2[n:12][cH:13][n:14][c:15]3[NH2:16])[CH2:6]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH:5]([n:7]2[cH:8][c:9](-[c:17]3[cH:18][c:19]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20][cH:21][cH:22]3)[c:10]3[c:11]2[n:12][cH:13][n:14][c:15]3[NH2:16])[CH2:6]1)[C:34]([NH:33][CH2:31][CH3:32])=[O:35]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 8022Ethyl isocyanateHCID 10157767cis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Product 1

HCID 67237297HCID 67237297, compound

Sources & evidence

ORD record
ord-967f9402ff0942bc895f1592de0b89f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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