Water → 4-[1-[[6-(2-Cyclopropylethynyl)-4-cyclopropyloxypyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

HRID 1147572Notes

Reaction equation

HRID 1147572 reaction equation
[C:29](#[CH:30])[CH:31]1[CH2:32][CH2:33]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6][c:7]([NH:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:23][cH:24]3)[n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15]3)[c:10]2[n:11]1.[Cu:81][I:82].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:34].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1([C:30]#[C:29][CH:31]2[CH2:32][CH2:33]2)[cH:3][cH:4][c:5]2[n:6][c:7]([NH:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:23][cH:24]3)[n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15]3)[c:10]2[n:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 138823CyclopropylacetyleneHCID 767384494-[1-(6-Chloro-4-cyclopropoxy-pyrido[3,2-d]pyrimidin-2-ylamino)-ethyl]-benzenesulfonamide

Product 1

HCID 671625544-[1-[[6-(2-Cyclopropylethynyl)-4-cyclopropyloxypyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

Sources & evidence

ORD record
ord-9ee75401aeec48dfbe8dd2aead50efb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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