Ethanol → HCID 21892296, compound

HRID 1539845Notes

Reaction equation

HRID 1539845 reaction equation
[CH3:56][CH2:57][OH:58].[NH:1]1[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[C:18](=[O:19])[OH:20])[CH2:5][CH2:6]1.[O:41]1[CH:42]([CH2:44][O:45][c:46]2[c:47]3[cH:48][cH:49][cH:50][n:51][c:52]3[cH:53][cH:54][cH:55]2)[CH2:43]1.[c:21]1([CH2:27][CH2:28][CH2:29][CH:30]([CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[NH-:40])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[N:1]1([CH2:43][CH:42]([OH:41])[CH2:44][O:45][c:46]2[c:47]3[cH:48][cH:49][cH:50][n:51][c:52]3[cH:53][cH:54][cH:55]2)[CH2:2][CH2:3][CH:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[C:18](=[O:19])[OH:20])[CH2:5][CH2:6]1.[c:21]1([CH2:27][CH2:28][CH2:29][CH:30]([CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[NH-:40])[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

6

Reactant 4

HCID 702EthanolHCID 112178995-(Oxiran-2-ylmethoxy)quinolineHCID 21892254HCID 21892254, compoundHCID 178514224HCID 178514224, compound

Product 2

HCID 21892296HCID 21892296, compoundHCID 178514224HCID 178514224, compound

Sources & evidence

ORD record
ord-ed2584b122d542049f16fc603395bd99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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