3-Isocyanatobenzonitrile → HCID 59323449, compound

HRID 1144454Notes

Reaction equation

HRID 1144454 reaction equation
[C:23](#[N:24])[c:25]1[cH:26][c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH2:20])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH:20][C:32]([NH:31][c:27]3[cH:26][c:25]([C:23]#[N:24])[cH:30][cH:29][cH:28]3)=[O:33])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1

Participants

3

Reactant 2

HCID 27333153-IsocyanatobenzonitrileHCID 593233653-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanamine

Product 1

HCID 59323449HCID 59323449, compound

Sources & evidence

ORD record
ord-d24c02718f4348dfb4f5519853ffbb8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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