Acetic Acid → HCID 77259967, compound

HRID 99872Notes

Reaction equation

HRID 99872 reaction equation
[CH3:59][C:60](=[O:61])[OH:62].[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][n:7][c:8]([NH2:10])[s:9]2)[cH:11][c:12]([CH:15]2[O:16][CH:17]([CH2:45][O:46][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH:18]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:19]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH:20]2[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:13][cH:14]1.[ClH:58].[Cu:64].[N:54]([O-:55])=[O:56].[Na+:57].[OH2:63]>>[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][n:7][c:8]([Cl:58])[s:9]2)[cH:11][c:12]([CH:15]2[O:16][CH:17]([CH2:45][O:46][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH:18]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:19]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH:20]2[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 23978CopperHCID 77260040HCID 77260040, compound

Product 1

HCID 77259967HCID 77259967, compound

Sources & evidence

ORD record
ord-030ac8a990314e04961d5774bb25198e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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