Ethanol → HCID 67182336, compound

HRID 2330114Notes

Reaction equation

[CH2:8]([O:9][C:10](=[O:11])[NH:17][CH:18]1[CH:19]([OH:63])[CH:20]([OH:62])[CH:21]([n:23]2[c:24]3[n:25][c:26]([N:47]4[CH2:48][CH:49]([NH:52][C:53](=[O:54])[NH:55][c:56]5[cH:57][n:58][cH:59][cH:60][cH:61]5)[CH2:50][CH2:51]4)[n:27][c:28]([NH:32][CH2:33][CH:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[c:29]3[n:30][cH:31]2)[CH2:22]1)[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:64]1.[CH3:65][CH2:66][OH:67].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH2:17][CH:18]1[CH:19]([OH:63])[CH:20]([OH:62])[CH:21]([n:23]2[c:24]3[n:25][c:26]([N:47]4[CH2:48][CH:49]([NH:52][C:53](=[O:54])[NH:55][c:56]5[cH:57][n:58][cH:59][cH:60][cH:61]5)[CH2:50][CH2:51]4)[n:27][c:28]([NH:32][CH2:33][CH:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[c:29]3[n:30][cH:31]2)[CH2:22]1

Participants

Reactant 3

HCID 702Ethanol

HCID 6422Trifluoroacetic acid

HCID 178522208HCID 178522208, compound

Product 1

HCID 67182336HCID 67182336, compound

Sources & evidence

ORD record: ord-97b53c1409b94f9d9fe399e1244c0bf5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…