Water → HCID 11268205, compound

HRID 104812Notes

Reaction equation

HRID 104812 reaction equation
[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:25][c:26]1[c:27]([N+:28]([O-:29])=[O:30])[cH:31][c:32]([S:33]([CH3:34])(=[O:35])=[O:36])[c:37]([C:39]([OH:40])=[O:41])[cH:38]1.[N:1]1([c:4]2[c:5]([N+:22](=[O:23])[O-:24])[cH:6][c:7]([S:18](=[O:19])(=[O:20])[CH3:21])[c:8]([C:9](=[O:10])[NH:11][CH2:12][CH:13]([CH2:14][OH:15])[OH:16])[cH:17]2)[CH2:2][CH2:3]1.[NH2:46][CH2:47][CH:48]([OH:49])[CH2:50][OH:51].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:52].[S:42]([Cl:43])([Cl:44])=[O:45]>>[c:4]1([Cl:25])[c:5]([N+:22](=[O:23])[O-:24])[cH:6][c:7]([S:18](=[O:19])(=[O:20])[CH3:21])[c:8]([C:9](=[O:10])[NH:11][CH2:12][CH:13]([CH2:14][OH:15])[OH:16])[cH:17]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 735613-Amino-1,2-propanediolHCID 9863629HCID 9863629, compoundHCID 11288978HCID 11288978, compound

Product 1

HCID 11268205HCID 11268205, compound

Sources & evidence

ORD record
ord-16f9712313cd4bc9a7748bbaebd4b8d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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