Acetic Acid → HCID 140536904, compound

HRID 2321532Notes

Reaction equation

HRID 2321532 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:5]([NH2:6])(=[NH:7])[c:8]1[cH:9][cH:10][c:11]([O:12][CH:13]([C:14](=[O:15])[O:16][CH3:17])[c:18]2[cH:19][c:20]([O:28][CH2:29][CH3:30])[c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]2)[cH:31][cH:32]1.[Cl:38][C:39](=[O:40])[O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:49][CH2:50][Cl:51].[Na+:37].[O-:33][C:34]([OH:35])=[O:36]>>[C:5](=[NH:6])([NH:7][C:39](=[O:40])[O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:8]1[cH:9][cH:10][c:11]([O:12][CH:13]([C:14](=[O:15])[O:16][CH3:17])[c:18]2[cH:19][c:20]([O:28][CH2:29][CH3:30])[c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]2)[cH:31][cH:32]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 10387Benzyl chloroformateHCID 57700390HCID 57700390, compound

Product 1

HCID 140536904HCID 140536904, compound

Sources & evidence

ORD record
ord-26552896f3804070a9aac3efb8a42a9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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