Acetic Acid → HCID 66838790, compound

HRID 685081Notes

Reaction equation

HRID 685081 reaction equation
[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:38][NH:39][CH3:40].[Cl:1][c:2]1[cH:3][c:4]([CH2:35][CH:36]=[O:37])[cH:5][n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH3:34])[N:11]([c:14]2[n:15][c:16]([N:28]3[CH:29]([CH3:33])[CH2:30][CH2:31][CH2:32]3)[n:17][c:18](-[c:20]3[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1.[Cl:45][CH2:46][Cl:47]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:35][CH2:36][N:39]([CH3:38])[CH3:40])[cH:5][n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH3:34])[N:11]([c:14]2[n:15][c:16]([N:28]3[CH:29]([CH3:33])[CH2:30][CH2:31][CH2:32]3)[n:17][c:18](-[c:20]3[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 674DimethylamineHCID 6344DichloromethaneHCID 72236433HCID 72236433, compound

Product 1

HCID 66838790HCID 66838790, compound

Sources & evidence

ORD record
ord-1df67a0222c04f6a9b2b56389b2871bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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