Potassium Cation → 2-(5-{3-[2-(4-Chloro-phenylamino)-ethylamino]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

HRID 1212878Notes

Reaction equation

HRID 1212878 reaction equation
[Br:22][CH2:23][CH2:24][CH:25]=[C:26]1[c:27]2[c:28]([cH:37][cH:38][c:39]([C:41]([CH3:42])([CH3:43])[OH:44])[cH:40]2)[O:29][CH2:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][n:36]2.[CH:45]([OH:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][CH2:10][NH2:11])[cH:6][cH:7]1.[I-:21].[K+:20].[n:12]1[c:13]([CH3:14])[cH:15][cH:16][cH:17][c:18]1[CH3:19]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][CH2:10][NH:11][CH2:23][CH2:24][CH:25]=[C:26]2[c:27]3[c:28]([cH:37][cH:38][c:39]([C:41]([CH3:42])([CH3:43])[OH:44])[cH:40]3)[O:29][CH2:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][n:36]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 3776IsopropanolHCID 79372,6-LutidineHCID 30165Iodide IonHCID 12666393N-(2-Aminoethyl)-N-(4-chlorophenyl)amineHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

Product 1

HCID 667582672-(5-{3-[2-(4-Chloro-phenylamino)-ethylamino]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

Sources & evidence

ORD record
ord-b70597c997274217a30ef23a8e180efe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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