Butyl isocyanate → HCID 67237310, compound

HRID 1221013Notes

Reaction equation

HRID 1221013 reaction equation
[CH3:31][CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[O:37].[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:36]([NH:35][CH2:34][CH2:33][CH2:32][CH3:31])=[O:37]

Participants

3

Reactant 2

HCID 8110Butyl isocyanateHCID 10157767cis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Product 1

HCID 67237310HCID 67237310, compound

Sources & evidence

ORD record
ord-bac2654dedb64997ae03ff78967aa3df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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