Acetonitrile → N-(4-Isopropylbenzenesulfonyl)-alpha-[2-n-propyl-4-[[(2-pyridylmethyl)amino]carbonyl]phenoxy]-3,4-methylenedioxyphenylacetamide

HRID 1129777Notes

Reaction equation

HRID 1129777 reaction equation
[C:39]([n:40]1[cH:41][cH:42][n:43][cH:44]1)([n:45]1[cH:46][cH:47][n:48][cH:49]1)=[O:50].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67]#[N:68].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][C:14]([CH:15]([O:16][c:17]2[c:18]([CH2:26][CH2:27][CH3:28])[cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[c:29]2[cH:30][c:31]3[c:32]([cH:33][cH:34]2)[O:35][CH2:36][O:37]3)=[O:38])[cH:8][cH:9]1.[NH2:51][CH2:52][c:53]1[n:54][cH:55][cH:56][cH:57][cH:58]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][C:14]([CH:15]([O:16][c:17]2[c:18]([CH2:26][CH2:27][CH3:28])[cH:19][c:20]([C:23](=[O:25])[NH:51][CH2:52][c:53]3[n:54][cH:55][cH:56][cH:57][cH:58]3)[cH:21][cH:22]2)[c:29]2[cH:30][c:31]3[c:32]([cH:33][cH:34]2)[O:35][CH2:36][O:37]3)=[O:38])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 195092-PyridinemethanamineHCID 682631,1'-CarbonyldiimidazoleHCID 98944604-[1-(1,3-Benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid

Product 1

HCID 15383765N-(4-Isopropylbenzenesulfonyl)-alpha-[2-n-propyl-4-[[(2-pyridylmethyl)amino]carbonyl]phenoxy]-3,4-methylenedioxyphenylacetamide

Sources & evidence

ORD record
ord-6862ce3314064d66b3c489231501521d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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