Phosphorus oxychloride → HCID 57898035, compound

HRID 193999Notes

Reaction equation

HRID 193999 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:27]3[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[c:15]([C:24](=[O:25])[NH2:26])[n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[Cl:36][c:37]1[cH:38][cH:39][c:40](-[n:41]2[c:42](=[O:43])[c:44]3[c:45]([C:46]([OH:47])=[O:48])[n:49][n:50](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]3[n:58][c:59]2-[c:60]2[cH:61][cH:62][c:63]([CH:64]([CH3:65])[CH3:66])[cH:67][cH:68]2)[cH:69][cH:70]1.[P:71]([Cl:72])([Cl:73])([Cl:74])=[O:75]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:27]3[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[c:15]([C:24]#[N:26])[n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 24813Phosphorus oxychlorideHCID 57898067HCID 57898067, compoundHCID 67282062HCID 67282062, compound

Product 1

HCID 57898035HCID 57898035, compound

Sources & evidence

ORD record
ord-8e039a1dd5234370aa6497cb675b8a9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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