Water → Tert-butyl 4-{2-[(4-{3-chloro-4-[(phenoxycarbonyl)amino]phenoxy}-2-pyridyl)amino]-2-oxoethyl}-1-piperidinecarboxylate

HRID 1137508Notes

Reaction equation

HRID 1137508 reaction equation
[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[NH2:11][c:12]1[c:13]([Cl:42])[cH:14][c:15]([O:16][c:17]2[cH:18][c:19]([NH:23][C:24]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)=[O:39])[n:20][cH:21][cH:22]2)[cH:40][cH:41]1.[OH2:54].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13]([Cl:42])[cH:14][c:15]([O:16][c:17]2[cH:18][c:19]([NH:23][C:24]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)=[O:39])[n:20][cH:21][cH:22]2)[cH:40][cH:41]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 15891Phenyl chloroformateHCID 22936879tert-Butyl4-(2-{[4-(4-amino-3-chlorophenoxy)-2-pyridyl]amino}-2-oxoethyl)-1-piperidinecarboxylate

Product 1

HCID 67202218Tert-butyl 4-{2-[(4-{3-chloro-4-[(phenoxycarbonyl)amino]phenoxy}-2-pyridyl)amino]-2-oxoethyl}-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-2f20d709807a43678147c6ac38302abe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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