Dimethylformamide → dimethyl 4-[1-[4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinylmethoxy]isophthalate

HRID 137100Notes

Reaction equation

HRID 137100 reaction equation
[CH3:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:19])[OH:20])[cH:15][cH:16]2)=[O:21])[cH:4][cH:5][cH:6][cH:7]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[NH:22]1[CH:23]([CH2:27][O:28][c:29]2[c:30]([C:39](=[O:40])[O:41][CH3:42])[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[CH2:24][CH2:25][CH2:26]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH3:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:20])[N:22]3[CH:23]([CH2:27][O:28][c:29]4[c:30]([C:39](=[O:40])[O:41][CH3:42])[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]4)[CH2:24][CH2:25][CH2:26]3)[cH:15][cH:16]2)=[O:21])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 66052544-((((2-Methylphenyl)amino)carbonyl)amino)benzeneacetic acidHCID 91152956Dimethyl 4-(pyrrolidin-2-ylmethoxy)benzene-1,3-dicarboxylate

Product 1

HCID 69333346dimethyl 4-[1-[4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinylmethoxy]isophthalate

Sources & evidence

ORD record
ord-b533a07606d34e5b8eecce8989e01ddb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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