1,2-Dichloroethane → 5-(6-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 304407Notes

Reaction equation

HRID 304407 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:33]=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[Cl:53][CH2:54][CH2:55][Cl:56].[Cl:58][CH2:59][Cl:60].[Na+:52].[OH2:57].[n:1]1[cH:2][n:3][c:4]([O:10][c:11]2[cH:12][c:13]3[cH:14][cH:15][n:16]([C:20](=[O:21])[NH:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[c:17]3[cH:18][cH:19]2)[c:5]2[c:6]1[CH2:7][NH:8][CH2:9]2>>[n:1]1[cH:2][n:3][c:4]([O:10][c:11]2[cH:12][c:13]3[cH:14][cH:15][n:16]([C:20](=[O:21])[NH:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]4)[c:17]3[cH:18][cH:19]2)[c:5]2[c:6]1[CH2:7][N:8]([CH3:35])[CH2:9]2

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 593944295-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide

Product 1

HCID 593945975-(6-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-9fe16a1e2f034c078f57435dec75d08c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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