3-Isocyanatobenzonitrile → HCID 59323319, compound

HRID 1119332Notes

Reaction equation

HRID 1119332 reaction equation
[C:22](#[N:23])[c:24]1[cH:25][c:26]([N:30]=[C:31]=[O:32])[cH:27][cH:28][cH:29]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][NH2:19])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:20][cH:21]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][NH:19][C:31]([NH:30][c:26]3[cH:25][c:24]([C:22]#[N:23])[cH:29][cH:28][cH:27]3)=[O:32])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:20][cH:21]1

Participants

3

Reactant 2

HCID 27333153-IsocyanatobenzonitrileHCID 59323164HCID 59323164, compound

Product 1

HCID 59323319HCID 59323319, compound

Sources & evidence

ORD record
ord-9bcd7e1fc47840e9ba705a5f9c572cb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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