Water → HCID 12137495, compound

HRID 2138372Notes

Reaction equation

HRID 2138372 reaction equation
[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH3:1][c:2]1[cH:3][c:4]([O:17][c:18]2[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[n:21][n:22]2[CH3:23])[n:5][c:6]([C:8]#[C:9][CH:10]([O:11][CH2:15][CH3:16])[O:12][CH2:13][CH3:14])[cH:7]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:35][CH:36]([Cl:37])[Cl:38].[OH2:39].[OH:28][C:29]([C:30]([Cl:31])([Cl:32])[Cl:33])=[O:34]>>[CH3:1][c:2]1[cH:3][c:4]([O:17][c:18]2[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[n:21][n:22]2[CH3:23])[n:5][c:6]([C:8]#[C:9][CH:10]=[O:11])[cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6212ChloroformHCID 6421Trichloroacetic AcidHCID 8003PentaneHCID 8857Ethyl AcetateHCID 12137494HCID 12137494, compound

Product 1

HCID 12137495HCID 12137495, compound

Sources & evidence

ORD record
ord-5ee849cbc76f47a99d26dc95651e86db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…