1,2-Dichloroethane → 4-(3-(Tert-butoxycarbonylamino)-1-(4-carbamoyl-3-fluorophenylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate

HRID 1547839Notes

Reaction equation

HRID 1547839 reaction equation
[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([F:31])[cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH2:28][OH:29])[cH:26][cH:27]2)=[O:30])[cH:8][cH:9]1.[CH2:32]([Cl:33])[CH2:34][Cl:35].[CH3:36][c:37]1[c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43][c:44]([CH3:46])[cH:45]1.[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([F:31])[cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH2:28][O:29][C:39]([c:38]3[c:37]([CH3:36])[cH:45][c:44]([CH3:46])[cH:43][cH:42]3)=[O:40])[cH:26][cH:27]2)=[O:30])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 1049PyridineHCID 118972,4-Dimethylbenzoic acidHCID 142844-(Dimethylamino)pyridineHCID 59563726Tert-butyl 3-(4-carbamoyl-3-fluorophenylamino)-2-(4-(hydroxymethyl)phenyl)-3-oxopropylcarbamate

Product 1

HCID 595636994-(3-(Tert-butoxycarbonylamino)-1-(4-carbamoyl-3-fluorophenylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate

Sources & evidence

ORD record
ord-610bacaef05e4862b49c5854ba651051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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