Triethylamine → HCID 178498191, compound

HRID 137094Notes

Reaction equation

HRID 137094 reaction equation
[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH3:39][O:40][c:41]1[cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49][c:50]1[NH:51][C:52](=[O:53])[O:54][c:55]1[cH:56][cH:57][c:58]([N+:59]([O-:60])=[O:61])[cH:62][cH:63]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[c:7]1([CH:17]([CH3:18])[N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][CH:28]2[CH2:29][NH:30][CH2:31][CH:32]2[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12>>[c:7]1([CH:17]([CH3:18])[N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][CH:28]2[CH2:29][N:30]([C:52]([NH:51][c:50]3[c:41]([O:40][CH3:39])[cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]3)=[O:53])[CH2:31][CH:32]2[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12

Participants

5

Reactant 4

HCID 8471TriethylamineHCID 312751,4-DioxaneHCID 66906303HCID 66906303, compoundHCID 178435709HCID 178435709, compound

Product 1

HCID 178498191HCID 178498191, compound

Sources & evidence

ORD record
ord-76bb5c0def2348f0bceb7cffb17ff67b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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