tert-Butyl isocyanate → HCID 5328119, compound

HRID 687552Notes

Reaction equation

HRID 687552 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[N:33]=[C:34]=[O:35].[NH2:1][c:2]1[c:3](-[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[n:9][cH:10]2)[n:20]1>>[NH:1]([c:2]1[c:3](-[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[n:9][cH:10]2)[n:20]1)[C:34]([NH:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35]

Participants

3

Sources & evidence

ORD record
ord-b7a596f9659649fbb9bdd8bcfd6c7d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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