1,2-Dichloroethane → 2-cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-cyano-1-cyclopropyl-2,2-dimethyl-ethyl)-amide

HRID 124972Notes

Reaction equation

HRID 124972 reaction equation
[CH2:45]([Cl:46])[CH2:47][Cl:48].[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[cH:11][c:12]3[C:13](=[O:14])[OH:15])[CH2:2][CH2:3]1.[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[ClH:24].[NH2:25][CH:26]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[CH:32]1[CH2:33][CH2:34]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[cH:11][c:12]3[C:13](=[O:14])[NH:25][CH:26]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[CH:32]2[CH2:33][CH2:34]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 575165893-Amino-3-cyclopropyl-2,2-dimethylpropanenitrileHCID 578296532-cyclopropyl-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

Product 1

HCID 670092382-cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-cyano-1-cyclopropyl-2,2-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-d8ebc0c94c714541a505d7c5bc31c189
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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