Acetate → 4-(6-chloro-4-pyrrolidin-1-yl-pyridin-2-ylamino)-N-methyl-benzenesulfonamide

HRID 165991

Reaction equation

HRID 165991 reaction equation
[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cl:1][c:2]1[n:3][c:4]([Cl:13])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:7]1.[K+:19].[NH2:66][c:67]1[cH:68][cH:69][c:70]([S:73](=[O:74])(=[O:75])[NH:76][CH3:77])[cH:71][cH:72]1.[OH2:94].[Pd+2:89].[cH:20]1[cH:21][cH:22][c:23]([P:24]([c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:30][cH:31][cH:32][cH:33]3)[c:34]2-[c:35]2[c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[cH:42][cH:43][c:44]2[P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65]1>>[c:2]1([NH:66][c:67]2[cH:68][cH:69][c:70]([S:73](=[O:74])(=[O:75])[NH:76][CH3:77])[cH:71][cH:72]2)[n:3][c:4]([Cl:13])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 743684-amino-N-methylbenzene-1-sulfonamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 11644208HCID 11644208, compound

Product 1

HCID 116392174-(6-chloro-4-pyrrolidin-1-yl-pyridin-2-ylamino)-N-methyl-benzenesulfonamide

Sources & evidence

ORD record
ord-7d6b8a5349fe4d6bad4b05fb9fba476d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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