Dimethyl Sulfoxide → 2-(4-Fluorobenzyl)-8-methyl-10-methoxy-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxaldehyde

HRID 90476Notes

Reaction equation

HRID 90476 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:46][CH2:47][Cl:48].[F:11][c:12]1[cH:13][cH:14][c:15]([CH2:16][n:17]2[n:18][c:19]([CH2:35][OH:36])[c:20]3[c:21]([c:22]2=[O:23])[c:24]([O:33][CH3:34])[c:25]2[n:26]3[CH2:27][CH2:28][N:29]([CH3:32])[C:30]2=[O:31])[cH:37][cH:38]1.[OH2:49]>>[F:11][c:12]1[cH:13][cH:14][c:15]([CH2:16][n:17]2[n:18][c:19]([CH:35]=[O:36])[c:20]3[c:21]([c:22]2=[O:23])[c:24]([O:33][CH3:34])[c:25]2[n:26]3[CH2:27][CH2:28][N:29]([CH3:32])[C:30]2=[O:31])[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 688646802-(4-fluorobenzyl)-4-(hydroxymethyl)-10-methoxy-8-methyl-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione

Product 1

HCID 866248002-(4-Fluorobenzyl)-8-methyl-10-methoxy-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxaldehyde

Sources & evidence

ORD record
ord-017b366a4eb44a308fd550eb3ea5db80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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