Ethanol → HCID 15299098, compound

HRID 1569340Notes

Reaction equation

HRID 1569340 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.[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]([S:39](=[O:40])(=[O:41])[CH3:42])[CH2:43][CH:44]1[O:45][CH2:46]1.[CH3:47][CH2:48][OH:49]>>[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]([CH2:46][CH:44]([CH2:43][N:38]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[S:39](=[O:40])(=[O:41])[CH3:42])[OH:45])[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 86754145HCID 86754145, compound

Product 1

HCID 15299098HCID 15299098, compound

Sources & evidence

ORD record
ord-2c29e46146ae4761ae5258d70b9c44b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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