Water → [3-(4-Amino-1-methyl-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester

HRID 1150316Notes

Reaction equation

HRID 1150316 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][CH2:17]1.[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[NH2:31][c:32]1[c:33](=[O:44])[n:34]([CH3:43])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[c:41]1[NH2:42].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH:14]([C:18](=[O:20])[NH:31][c:32]2[c:33](=[O:44])[n:34]([CH3:43])[c:35]3[n:36][cH:37][cH:38][cH:39][c:40]3[c:41]2[NH2:42])[CH2:15][CH2:16][CH2:17]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 446300243-{[(Benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acidHCID 451232963,4-Diamino-1-methyl-1,8-naphthyridin-2(1H)-one

Product 1

HCID 45123295[3-(4-Amino-1-methyl-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester

Sources & evidence

ORD record
ord-5763e6c7777447229e6bae3b88bb0e77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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