Acetate → 4-[7-(2-chloro-5-nitro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide

HRID 315822

Reaction equation

HRID 315822 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[NH:33][CH2:34][CH2:35][N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[cH:28][cH:29]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[Cl:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH2:19])[n:17][n:18]3)[c:20]([CH3:22])[cH:21]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:46].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd+2:53]>>[Cl:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:19][c:24]4[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[NH:33][CH2:34][CH2:35][N:36]5[CH2:37][CH2:38][CH2:39][CH2:40]5)[cH:28][cH:29]4)[n:17][n:18]3)[c:20]([CH3:22])[cH:21]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium CationHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 40330904-Bromo-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamideHCID 45749132-Methylpropan-2-olateHCID 598377847-(2-Chloro-5-nitro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamine

Product 1

HCID 598377334-[7-(2-chloro-5-nitro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide

Sources & evidence

ORD record
ord-df044460b11b4915ad74e0f44145f01d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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