Water → Ethyl 2-(8-chloro-6-cyano-2,3-dihydro-5-oxopyrrolo[1,2,3-de]-1,4-benzoxazine-6-yl)-2-cyanoacetate

HRID 689671Notes

Reaction equation

HRID 689671 reaction equation
[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:12]([cH:13]1)[C:11]([CH2:14][N+:15]([O-:16])=[O:17])([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[C:24]#[N:25])[C:10](=[O:26])[N:6]3[CH2:7][CH2:8][O:9]2.[OH2:31].[P:27]([Cl:28])([Cl:29])[Cl:30].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:12]([cH:13]1)[C:11]([C:14]#[N:15])([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[C:24]#[N:25])[C:10](=[O:26])[N:6]3[CH2:7][CH2:8][O:9]2

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 24387Phosphorus trichlorideHCID 21297532HCID 21297532, compound

Product 1

HCID 14152290Ethyl 2-(8-chloro-6-cyano-2,3-dihydro-5-oxopyrrolo[1,2,3-de]-1,4-benzoxazine-6-yl)-2-cyanoacetate

Sources & evidence

ORD record
ord-9637dcebbf7f4bf98a8c170e3436718a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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