Chloride → HCID 22054314, compound

HRID 2326637Notes

Reaction equation

HRID 2326637 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]1.[CH2:60]([Cl:61])[Cl:62].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:32][O:33][C:34]1=[C:39]([O:40][CH3:41])[C:38](=[O:42])[C:37]([CH2:43][c:44]2[cH:45][cH:46][c:47]([O:53][C:54]([CH3:55])=[O:56])[c:48]([C:49](=[O:50])[OH:51])[cH:52]2)=[C:36]([CH3:57])[C:35]1=[O:58].[Cl-:23].[Cl:24][CH:25]1[N:26]([CH3:27])[CH2:28][CH2:29][NH+:30]1[CH3:31].[OH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:49]([c:48]2[c:47]([O:53][C:54]([CH3:55])=[O:56])[cH:46][cH:45][c:44]([CH2:43][C:37]3=[C:36]([CH3:57])[C:35](=[O:58])[C:34]([O:33][CH3:32])=[C:39]([O:40][CH3:41])[C:38]3=[O:42])[cH:52]2)=[O:50])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 688611tert-Butyl (4-aminophenyl)carbamateHCID 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 22054314HCID 22054314, compound

Sources & evidence

ORD record
ord-0ae805afc52e455a92fe63c7be088208
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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