Ethylene Glycol → HCID 67012654, compound

HRID 202820Notes

Reaction equation

HRID 202820 reaction equation
[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][c:19]([C:22](=[O:23])[OH:24])[cH:20][cH:21]4)[n:10][o:11]2)[s:6]1.[Cl:56][CH2:57][Cl:58].[OH:52][CH2:53][CH2:54][OH:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][c:19]([C:22]([O:23][CH2:54][CH2:53][OH:52])=[O:24])[cH:20][cH:21]4)[n:10][o:11]2)[s:6]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 142844-(Dimethylamino)pyridineHCID 111685123-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-3H-benzoimidazole-5-carboxylic acid

Product 1

HCID 67012654HCID 67012654, compound

Sources & evidence

ORD record
ord-0a00705440b740c8be82e9a418de9e94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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