Ethanol → HCID 67600478, compound

HRID 689151Notes

Reaction equation

HRID 689151 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][N:7]1[CH2:8][CH2:9][N:10]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:11][CH2:12][N:13]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH3:48][CH2:49][OH:50].[c:31]1([CH2:37][CH2:38][N:39]([S:40](=[O:41])(=[O:42])[CH3:43])[CH2:44][CH:45]2[O:46][CH2:47]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][N:7]1[CH2:8][CH2:9][N:10]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:11][CH2:12][N:13]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:14][CH2:15][N:16]([CH2:47][CH:45]([CH2:44][N:39]([CH2:38][CH2:37][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[S:40](=[O:41])(=[O:42])[CH3:43])[OH:46])[CH2:17][CH2:18]1

Participants

4

Reactant 3

HCID 702EthanolHCID 10906130Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetateHCID 86754146HCID 86754146, compound

Product 1

HCID 67600478HCID 67600478, compound

Sources & evidence

ORD record
ord-293f9fcbb1de4aba87fb8ac13cc889df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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