Acetic Acid → HCID 70001631, compound

HRID 208451Notes

Reaction equation

HRID 208451 reaction equation
[CH3:1][N:2]1[C:3](=[O:35])[CH:4]([NH:22][C:23]([CH2:24][CH2:25][c:26]2[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][cH:31]2)=[O:34])[N:5]=[C:6]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([N+:13]([O-:14])=[O:15])[cH:12]2.[CH3:39][C:40](=[O:41])[OH:42].[Cl-:44].[Cl-:46].[Cl-:47].[ClH:36].[Na+:38].[OH-:37].[OH2:43].[Ti+3:45]>>[CH3:1][N:2]1[C:3](=[O:35])[CH:4]([NH:22][C:23]([CH2:24][CH2:25][c:26]2[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][cH:31]2)=[O:34])[N:5]=[C:6]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([NH2:13])[cH:12]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312Chloride3×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 5153393TiIIIHCID 18968974HCID 18968974, compound

Product 1

HCID 70001631HCID 70001631, compound

Sources & evidence

ORD record
ord-7e810e92946e403a9e3a720a929f9ae8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…