Phenyl isocyanate → HCID 11407702, compound

HRID 281635Notes

Reaction equation

[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]21.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[O:24]=[C:25]=[N:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH:14][C:25](=[O:24])[NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:11][cH:12][c:13]21

Participants

Reactant 4

HCID 7672Phenyl isocyanate

HCID 8028Tetrahydrofuran

HCID 81531Diisopropylethylamine

HCID 28370841-(6-amino-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone

Product 1

HCID 11407702HCID 11407702, compound

Sources & evidence

ORD record: ord-811042c2e35f4f159edaf4c1977b3e40
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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