Tetrahydrofuran → Methyl 2-(4-methylsulfonylpiperazin-1-yl)-3-[[4-[(2-phenyl-4-pyridinyl)methoxy]phenyl]sulfonylamino]propanoate

HRID 1130290Notes

Reaction equation

HRID 1130290 reaction equation
[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:13][c:14]1[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH:23][CH2:24][CH:25]([C:26](=[O:27])[O:28][CH3:29])[N:30]2[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:34][CH2:35]2)[cH:18][cH:19]1.[c:40]1(-[c:46]2[n:47][cH:48][cH:49][c:50]([CH2:52][OH:53])[cH:51]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[O:13]([c:14]1[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH:23][CH2:24][CH:25]([C:26](=[O:27])[O:28][CH3:29])[N:30]2[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:34][CH2:35]2)[cH:18][cH:19]1)[CH2:52][c:50]1[cH:49][cH:48][n:47][c:46](-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:51]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 16125998(2-Phenylpyridin-4-yl)methanolHCID 123687321Methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoate

Product 1

HCID 123407900Methyl 2-(4-methylsulfonylpiperazin-1-yl)-3-[[4-[(2-phenyl-4-pyridinyl)methoxy]phenyl]sulfonylamino]propanoate

Sources & evidence

ORD record
ord-e5f558c1e158488ca44bb61d84be7fec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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