Ethylene Glycol → HCID 24956353, compound
Reaction equation
[CH3:1][S:2](=[O:3])(=[N:4][C:5](=[O:6])[c:7]1[cH:8][n:9][cH:10][c:11]([C:13]#[C:14][c:15]2[cH:16][c:17]([NH:21][C:22](=[O:23])[c:24]3[o:25][cH:26][cH:27][c:28]3[CH3:29])[cH:18][cH:19][cH:20]2)[cH:12]1)[c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][C:38](=[O:39])[OH:40])[cH:34][cH:35]1.[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:61][N:62]([c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1)[CH3:69].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:52][CH2:53][CH2:54][OH:55]>>[CH3:1][S:2](=[O:3])(=[N:4][C:5](=[O:6])[c:7]1[cH:8][n:9][cH:10][c:11]([C:13]#[C:14][c:15]2[cH:16][c:17]([NH:21][C:22](=[O:23])[c:24]3[o:25][cH:26][cH:27][c:28]3[CH3:29])[cH:18][cH:19][cH:20]2)[cH:12]1)[c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:54][CH2:53][OH:52])[cH:34][cH:35]1Participants
7
Sources & evidence
- ORD record
- ord-0f9ea46be0514e2c9403dd9272a2b70a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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