Hydrochloric Acid → (1-{4-[4-(2-Benzyloxycarbamoyl-ethyl)-phenoxy]-benzyl}-2-morpholin-4-yl-2-oxoethyl)-carbamic acid tert-butyl ester

HRID 2140661Notes

Reaction equation

HRID 2140661 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:20][cH:21]2)[cH:27][cH:28]1)[C:29](=[O:30])[N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[CH2:66]([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[O:73][NH2:74].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:65].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:26])[NH:74][O:73][CH2:66][c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)[cH:20][cH:21]2)[cH:27][cH:28]1)[C:29](=[O:30])[N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 102313O-BenzylhydroxylamineHCID 597628083-{4-[4-(2-Tert-butoxycarbonylamino-3-morpholin-4-yl-3-oxopropyl)-phenoxy]-phenyl}-propionic acid

Product 1

HCID 59762810(1-{4-[4-(2-Benzyloxycarbamoyl-ethyl)-phenoxy]-benzyl}-2-morpholin-4-yl-2-oxoethyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-146ce0c304da41ad9f4f2371735510ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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