Water → [3-[[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid dimethyl ester

HRID 1543803Notes

Reaction equation

HRID 1543803 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:30][O:31][P:32]([O:33][CH3:34])(=[O:35])[CH2:36][CH2:37][CH2:38][Br:39].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]1([c:4]2[n:5]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:6]3[cH:7][cH:8][c:9]([OH:17])[cH:10][c:11]3[c:12]2[CH2:13][C:14](=[O:15])[NH2:16])[CH2:2][CH2:3]1.[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[OH2:45]>>[CH:1]1([c:4]2[n:5]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:6]3[cH:7][cH:8][c:9]([O:17][CH2:38][CH2:37][CH2:36][P:32]([O:31][CH3:30])([O:33][CH3:34])=[O:35])[cH:10][c:11]3[c:12]2[CH2:13][C:14](=[O:15])[NH2:16])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2834991-Bromo-3-dimethoxyphosphorylpropaneHCID 106635022-cyclopropyl-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide

Product 1

HCID 10600435[3-[[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid dimethyl ester

Sources & evidence

ORD record
ord-e5c6f97b5fec45808b2bce72d2e6524d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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