Acetic Acid → HCID 44454980, compound

HRID 1139859Notes

Reaction equation

HRID 1139859 reaction equation
[CH3:46][C:47](=[O:48])[OH:49].[Cl:43][CH2:44][Cl:45].[ClH:42].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50].[nH:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17]([CH2:18][N:19]3[C:20](=[O:38])[c:21]4[c:22]([cH:34][cH:35][cH:36][cH:37]4)[CH:23]([CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25]3)=[O:39])[cH:40][cH:41]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17]([CH2:18][N:19]3[C:20](=[O:38])[c:21]4[c:22]([cH:34][cH:35][cH:36][cH:37]4)[CH:23]([CH2:26][C:27](=[O:28])[OH:29])[CH2:24][CH2:25]3)=[O:39])[cH:40][cH:41]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 86591656HCID 86591656, compound

Product 1

HCID 44454980HCID 44454980, compound

Sources & evidence

ORD record
ord-08e44149fa774d66b7297f219023cf56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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