Dichloromethane → HCID 10167564, compound

HRID 1219601Notes

Reaction equation

HRID 1219601 reaction equation
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[Cl:57][CH2:58][Cl:59].[O:31]1[CH:32]([CH2:34][n:35]2[n:36][c:37](-[c:47]3[cH:48][cH:49][c:50]([C:53]([F:54])([F:55])[F:56])[cH:51][cH:52]3)[c:38]3[c:43]2[CH2:42][CH2:41][N:40]([C:44]([CH3:45])=[O:46])[CH2:39]3)[CH2:33]1.[OH:24][C:25]([C:26]([F:27])([F:28])[F:29])=[O:30]>>[CH2:6]([N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[s:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13]1)[CH:32]([OH:31])[CH2:34][n:35]1[n:36][c:37](-[c:47]2[cH:48][cH:49][c:50]([C:53]([F:54])([F:55])[F:56])[cH:51][cH:52]2)[c:38]2[c:43]1[CH2:42][CH2:41][N:40]([C:44]([CH3:45])=[O:46])[CH2:39]2

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 222938171-[1-Oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanoneHCID 71629874HCID 71629874, compound

Product 1

HCID 10167564HCID 10167564, compound

Sources & evidence

ORD record
ord-b63dd0960499485389ca717ed7ff58b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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