Ethanol → HCID 22407332, compound

HRID 143072Notes

Reaction equation

HRID 143072 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9][c:10]([CH3:27])[c:11]([N:13]3[C:14](=[O:26])[N:15]([CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:16][CH2:17][CH2:18]3)[cH:12]2)[n:28]1[CH2:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[C:44](=[O:45])[O:46][CH2:47][CH3:48])[cH:34][cH:35]1.[CH3:51][CH2:52][OH:53].[Na+:50].[OH-:49]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9][c:10]([CH3:27])[c:11]([N:13]3[C:14](=[O:26])[N:15]([CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:16][CH2:17][CH2:18]3)[cH:12]2)[n:28]1[CH2:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[C:44](=[O:45])[OH:46])[cH:34][cH:35]1

Participants

5

Sources & evidence

ORD record
ord-e9ce370cbdff41f58ee7fa6bcd355c22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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