Acetic Acid → HCID 54278802, compound

HRID 1234171Notes

Reaction equation

HRID 1234171 reaction equation
[CH2:39]([Cl:40])[Cl:41].[CH3:37][OH:38].[CH3:42][C:43](=[O:44])[OH:45].[Cl:1][c:2]1[c:3]([CH2:11][n:12]2[c:13](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:14][c:15]([S:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[c:16]2[CH:17]=[O:18])[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2.[Na:34][C:35]#[N:36]>>[Cl:1][c:2]1[c:3]([CH2:11][n:12]2[c:13](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:14][c:15]([S:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[c:16]2[C:17](=[O:18])[O:38][CH3:37])[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 6344DichloromethaneHCID 54108474HCID 54108474, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 54278802HCID 54278802, compound

Sources & evidence

ORD record
ord-9a0402f5b7e3437193d2acd1792c8a8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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