Phenyl isocyanate → HCID 21101965, compound

HRID 197525Notes

Reaction equation

HRID 197525 reaction equation
[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1.[O:18]=[C:19]=[N:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][N:15]([C:19](=[O:18])[NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1

Participants

4

Reactant 3

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 7383897-Chloro-4-(piperazin-1-yl)quinoline

Product 1

HCID 21101965HCID 21101965, compound

Sources & evidence

ORD record
ord-8f6375f2d71a4746bdadf162be48563f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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