Ethyl 3-isocyanatobenzoate → HCID 66914498, compound

HRID 1126484Notes

Reaction equation

HRID 1126484 reaction equation
[N:30](=[C:31]=[O:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:41][cH:42][cH:43]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1)[C:31]([NH:30][c:33]1[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:41][cH:42][cH:43]1)=[O:32]

Participants

3

Reactant 2

HCID 589806Ethyl 3-isocyanatobenzoateHCID 11326798[4-(3-Aminophenyl)-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone

Product 1

HCID 66914498HCID 66914498, compound

Sources & evidence

ORD record
ord-cf7dbf239ca34770bb0ab03e4c2649d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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