Acetic Acid → HCID 178520276, compound

HRID 166147Notes

Reaction equation

HRID 166147 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([n:17][cH:18][n:19]3[C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:39][CH2:40]2)[cH:6][cH:7]1.[OH2:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([nH:17][cH:18][n:19]3)[CH2:39][CH2:40]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 23512877HCID 23512877, compound

Product 1

HCID 178520276HCID 178520276, compound

Sources & evidence

ORD record
ord-fff65db4fb714e3daa84635c126cc9ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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