5-Isocyanatoisoquinoline → HCID 11741004, compound

HRID 2146753Notes

Reaction equation

HRID 2146753 reaction equation
[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH2:13])[cH:14][cH:15]2)[CH2:6][CH2:7]1.[N:16](=[C:17]=[O:18])[c:19]1[c:20]2[cH:21][c:22]([CH3:29])[n:23][cH:24][c:25]2[cH:26][cH:27][cH:28]1.[N:30]([c:31]1[cH:32][cH:33][cH:34][c:35]2[c:36]1[cH:37][cH:38][n:39][cH:40]2)=[C:41]=[O:42]>>[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH:13][C:17]([NH:16][c:19]3[c:20]4[cH:21][c:22]([CH3:29])[n:23][cH:24][c:25]4[cH:26][cH:27][cH:28]3)=[O:18])[cH:14][cH:15]2)[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 115863575-IsocyanatoisoquinolineHCID 176089301-[4-(4-Methylpiperidin-1-yl)phenyl]methanamineHCID 222283825-Isocyanato-3-methylisoquinoline

Product 1

HCID 11741004HCID 11741004, compound

Sources & evidence

ORD record
ord-ea6df0d5995548eb881ed4f2bcb8de30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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