Citric Acid → HCID 66675269, compound

HRID 1146169Notes

Reaction equation

HRID 1146169 reaction equation
[CH3:33][S:34]([Cl:35])(=[O:36])=[O:37].[CH:54]([OH:55])([CH3:56])[CH3:57].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[O:7][CH2:8][c:9]1[c:10]([cH:22][cH:23][cH:24][n:25]1)[C:11]2=[C:12]([CH2:13][CH3:14])[c:15]1[cH:16][c:17]([NH2:21])[cH:18][cH:19][cH:20]1.[Cl:51][CH2:52][Cl:53].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[O:7][CH2:8][c:9]1[c:10]([cH:22][cH:23][cH:24][n:25]1)[C:11]2=[C:12]([CH2:13][CH3:14])[c:15]1[cH:16][c:17]([NH:21][S:34]([CH3:33])(=[O:36])=[O:37])[cH:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 1049PyridineHCID 3776IsopropanolHCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 66676370HCID 66676370, compound

Product 1

HCID 66675269HCID 66675269, compound

Sources & evidence

ORD record
ord-c190d400426045dc8f8da4de23eba6b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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