Water → tert-Butyl 2-(2-{[3-chloro-4-(2-methylbenzoyl)phenyl]amino}phenyl)ethyl carbonate

HRID 1539999Notes

Reaction equation

HRID 1539999 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[O:34][NH:35][CH:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[C:43]#[N:44].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cl:1][c:2]1[c:3]([C:18](=[O:19])[c:20]2[c:21]([CH3:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([CH2:15][CH2:16][OH:17])[cH:11][cH:12][cH:13][cH:14]2)[cH:7]1.[OH2:45]>>[Cl:1][c:2]1[c:3]([C:18](=[O:19])[c:20]2[c:21]([CH3:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([CH2:15][CH2:16][O:17][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[cH:11][cH:12][cH:13][cH:14]2)[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10270233(2-Chloro-4-{[2-(2-hydroxyethyl)phenyl]amino}phenyl)(2-methylphenyl)methanoneHCID 13876148{[(Tert-butoxycarbonyl)oxy]amino}(phenyl)acetonitrile

Product 1

HCID 22174529tert-Butyl 2-(2-{[3-chloro-4-(2-methylbenzoyl)phenyl]amino}phenyl)ethyl carbonate

Sources & evidence

ORD record
ord-cff9fce9956041ddbd1867ef71865812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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