Chloride → HCID 22054339, compound

HRID 204327Notes

Reaction equation

HRID 204327 reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:27][O:28][C:29]1=[C:34]([O:35][CH3:36])[C:33](=[O:37])[C:32]([CH2:38][c:39]2[cH:40][cH:41][c:42]([O:48][C:49]([CH3:50])=[O:51])[c:43]([C:44](=[O:45])[OH:46])[cH:47]2)=[C:31]([CH3:52])[C:30]1=[O:53].[Cl-:18].[Cl:19][CH:20]1[N:21]([CH3:22])[CH2:23][CH2:24][NH+:25]1[CH3:26].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][cH:9][cH:10]1.[OH2:54]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][C:44]([c:43]2[c:42]([O:48][C:49]([CH3:50])=[O:51])[cH:41][cH:40][c:39]([CH2:38][C:32]3=[C:31]([CH3:52])[C:30](=[O:53])[C:29]([O:28][CH3:27])=[C:34]([O:35][CH3:36])[C:33]3=[O:37])[cH:47]2)=[O:45])[cH:7][cH:8][cH:9][cH:10]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 69462-NitroanilineHCID 8471TriethylamineHCID 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 22054339HCID 22054339, compound

Sources & evidence

ORD record
ord-89330c117ce94dc88aaa37abd2aa7b88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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