Dichloromethane → HCID 72297320, compound

HRID 1547780Notes

Reaction equation

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

Participants

Reactant 6

HCID 6344Dichloromethane

HCID 19660Carbonate Ion

HCID 312751,4-Dioxane

HCID 104967Cesium cation2×

HCID 139377Methylboronic Acid

HCID 72297478propan-2-yl 5-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-7-bromo-3,4,5,8,9,10-hexahydro-2H-cyclopenta[i][1]benzazepine-1-carboxylate

Product 1

HCID 72297320HCID 72297320, compound

Sources & evidence

ORD record: ord-17e627bc56ac44a4b469f6604476f5b7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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