Chloride → HCID 22054216, compound

HRID 1573865Notes

Reaction equation

HRID 1573865 reaction equation
[CH2:58]([Cl:59])[Cl:60].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:30][O:31][C:32]1=[C:37]([O:38][CH3:39])[C:36](=[O:40])[C:35]([CH2:41][c:42]2[cH:43][cH:44][c:45]([O:51][C:52]([CH3:53])=[O:54])[c:46]([C:47](=[O:48])[OH:49])[cH:50]2)=[C:34]([CH3:55])[C:33]1=[O:56].[Cl-:21].[Cl:22][CH:23]1[N:24]([CH3:25])[CH2:26][CH2:27][NH+:28]1[CH3:29].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[CH2:5][CH2:6]1.[OH2:57]>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:11][C:47]([c:46]3[c:45]([O:51][C:52]([CH3:53])=[O:54])[cH:44][cH:43][c:42]([CH2:41][C:35]4=[C:34]([CH3:55])[C:33](=[O:56])[C:32]([O:31][CH3:30])=[C:37]([O:38][CH3:39])[C:36]4=[O:40])[cH:50]3)=[O:48])[cH:12][cH:13]2)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 75655Benzenamine, 4-(4-morpholinyl)-HCID 220542715-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoic AcidHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-ium

Product 1

HCID 22054216HCID 22054216, compound

Sources & evidence

ORD record
ord-75a1cc0cb22f44dfa52fd58b86d40aa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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