N,N-Diethylaniline → HCID 86597651, compound

Reaction equation

[CH2:45]([N:46]([CH2:47][CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH3:55].[CH:1]1([c:8]2[c:9](-[c:18]3[c:19]([F:39])[cH:20][c:21]([O:25][CH2:26][CH2:27][CH2:28][O:29][CH2:30][c:31]4[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]4)[cH:22][c:23]3[F:24])[c:10]([OH:17])[n:11][c:12]3[n:13]2[n:14][cH:15][n:16]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[P:40]([Cl:41])([Cl:42])([Cl:43])=[O:44]>>[CH:1]1([c:8]2[c:9](-[c:18]3[c:19]([F:39])[cH:20][c:21]([O:25][CH2:26][CH2:27][CH2:28][O:29][CH2:30][c:31]4[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]4)[cH:22][c:23]3[F:24])[c:10]([Cl:42])[n:11][c:12]3[n:13]2[n:14][cH:15][n:16]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

Reactant 3

HCID 7061N,N-Diethylaniline

HCID 24813Phosphorus oxychloride

HCID 178491462HCID 178491462, compound

Product 1

HCID 86597651HCID 86597651, compound

Sources & evidence

ORD record: ord-04ec7ef665504be0bcd5cad7362793fa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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