Acetic Acid → HCID 54429984, compound

HRID 2153315Notes

Reaction equation

HRID 2153315 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]2([c:7]3[cH:8][cH:37][c:38]([Cl:39])[cH:40][cH:41]3)[O:9][c:10]3[c:11]([cH:13][cH:14][c:15]([CH2:17][C:18](=[O:19])[c:20]4[cH:21][n:22]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]45)[cH:16]3)[O:12]2)[cH:42][cH:43]1.[OH2:44]>>[OH:9][c:10]1[c:11]([OH:12])[cH:13][cH:14][c:15]([CH2:17][C:18](=[O:19])[c:20]2[cH:21][n:22]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:16]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 53833634HCID 53833634, compound

Product 1

HCID 54429984HCID 54429984, compound

Sources & evidence

ORD record
ord-82bf9e39ba3a4aac9c581218538a013e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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