Phenyl isocyanate → HCID 66914232, compound

HRID 95266Notes

Reaction equation

HRID 95266 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[O:28]=[C:29]=[N:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:1]1(-[c:7]2[cH:8][n:9][c:10]3[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][cH:14][c:15]3[c:16]2-[c:17]2[cH:18][c:19]([NH2:23])[cH:20][cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][n:9][c:10]3[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][cH:14][c:15]3[c:16]2-[c:17]2[cH:18][c:19]([NH:23][C:29](=[O:28])[NH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:20][cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 66913717{3-[3-Phenyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amine

Product 1

HCID 66914232HCID 66914232, compound

Sources & evidence

ORD record
ord-2b304afd576749cb9878de09bee3ddfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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