Acetate → 4-(3-Cyclopropyl-indole-1-sulfonyl)-N-(4-fluoro-benzyl)-benzamide

HRID 2126093Notes

Reaction equation

HRID 2126093 reaction equation
[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:31]1([B:34]([OH:35])[OH:36])[CH2:32][CH2:33]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[n:18]3[cH:19][c:20]([I:27])[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[cH:13][cH:14]2)=[O:28])[cH:29][cH:30]1.[K+:61].[K+:62].[K+:63].[OH2:71].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd+2:76]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[n:18]3[cH:19][c:20]([CH:31]4[CH2:32][CH2:33]4)[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[cH:13][cH:14]2)=[O:28])[cH:29][cH:30]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 58975061N-(4-fluoro-benzyl)-4-(3-iodo-indole-1-sulfonyl)-benzamide

Product 1

HCID 589750114-(3-Cyclopropyl-indole-1-sulfonyl)-N-(4-fluoro-benzyl)-benzamide

Sources & evidence

ORD record
ord-94d675b08c6a4eb8bfc7620ff79e9fec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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