Ethanol → HCID 15299094, compound

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]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[N:42]([S:43](=[O:44])(=[O:45])[CH3:46])[CH2:47][CH:48]1[O:49][CH2:50]1.[CH3:51][CH2:52][OH:53]>>[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]([CH2:50][CH:48]([CH2:47][N:42]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[S:43](=[O:44])(=[O:45])[CH3:46])[OH:49])[CH2:17][CH2:18]1

Participants

Reactant 3

HCID 702Ethanol

HCID 10906130Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

HCID 15299093HCID 15299093, compound

Product 1

HCID 15299094HCID 15299094, compound

Sources & evidence

ORD record: ord-5d9c044a5a3b47b88ab8ef8afcabba45
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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