Ethanol → HCID 23062551, compound

HRID 166222Notes

Reaction equation

HRID 166222 reaction equation
[CH2:47]([OH:48])[CH3:49].[CH:38]([Cl:39])([Cl:40])[Cl:41].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9]([NH:22][C:23](=[O:24])[CH:25]3[CH2:26][CH2:27][CH:28]([N:31]4[C:32](=[O:36])[CH2:33][CH2:34][CH2:35]4)[CH2:29][CH2:30]3)[c:10]([C:12](=[O:13])[NH:14][c:15]3[n:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[o:11]2)[cH:37]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9]([NH:22][C:23](=[O:24])[CH:25]3[CH2:26][CH2:27][CH:28]([N:31]4[C:32](=[O:36])[CH2:33][CH2:34][CH2:35]4)[CH2:29][CH2:30]3)[c:10]([C:12](=[O:13])[NH:14][c:15]3[n:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[o:11]2)[cH:37]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 23062752HCID 23062752, compound

Product 1

HCID 23062551HCID 23062551, compound

Sources & evidence

ORD record
ord-fb84479484014525be9b2c4e7c0cd60c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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