Ammonium → 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-ethyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester

HRID 2321502Notes

Reaction equation

HRID 2321502 reaction equation
[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:21][CH2:22][O:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][n:29]([C:33](=[CH:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:40]5[cH:41][c:42]([O:46][CH2:47][c:48]6[cH:49][cH:50][cH:51][cH:52][cH:53]6)[cH:43][cH:44][cH:45]5)[c:30]4[cH:31][cH:32]3)[n:19][c:20]21.[CH3:54][N:55]([P:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])=[O:63])[CH3:64].[CH3:65][OH:66].[CH3:69][CH2:70][OH:71].[Cl-:67].[I-:1].[I-:3].[NH4+:68].[Sm+2:2]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:21][CH2:22][O:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][n:29]([CH:33]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:40]5[cH:41][c:42]([O:46][CH2:47][c:48]6[cH:49][cH:50][cH:51][cH:52][cH:53]6)[cH:43][cH:44][cH:45]5)[c:30]4[cH:31][cH:32]3)[n:19][c:20]21

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 887MethanolHCID 12679HexamethylphosphoramideHCID 30165Iodide Ion2×HCID 668211417-(2-{1-[1-(3-benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl esterHCID 178528036HCID 178528036, compound

Product 1

HCID 668214097-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-ethyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-66329838f3114d288ec2c72cafd8b48a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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