Acetic Acid → HCID 178480305, compound

HRID 670531Notes

Reaction equation

HRID 670531 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][C:23]4([O:24][CH2:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:32][CH2:33]3)[cH:7][n:8]([CH2:11][CH:12]3[CH2:13][NH:14][CH2:15][CH2:16][CH2:17]3)[c:9]2[cH:10]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][C:23]4([O:24][CH2:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:32][CH2:33]3)[cH:7][n:8]([CH2:11][CH:12]3[CH2:13][N:14]([CH3:34])[CH2:15][CH2:16][CH2:17]3)[c:9]2[cH:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 178519820HCID 178519820, compound

Product 1

HCID 178480305HCID 178480305, compound

Sources & evidence

ORD record
ord-89a41c6f50104f5c97eaaa44c766ca0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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