Potassium Cation → 3-(4-Chloro-phenyl)-1-ethyl-1-(1-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-pyrrolidin-3-yl)-urea

HRID 1575003Notes

Reaction equation

HRID 1575003 reaction equation
[Br:25][CH2:26][CH2:27][CH:28]=[C:29]1[c:30]2[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]2)[O:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][n:39]2.[C:19](=[O:20])([O-:21])[O-:22].[C:49](#[N:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([N:10]([CH:11]2[CH2:12][NH:13][CH2:14][CH2:15]2)[CH2:16][CH3:17])=[O:18])[cH:6][cH:7]1.[K+:23].[K+:24].[OH2:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([N:10]([CH:11]2[CH2:12][N:13]([CH2:26][CH2:27][CH:28]=[C:29]3[c:30]4[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]4)[O:32][CH2:33][c:34]4[c:35]3[cH:36][cH:37][cH:38][n:39]4)[CH2:14][CH2:15]2)[CH2:16][CH3:17])=[O:18])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 231369783-(4-Chloro-phenyl)-1-ethyl-1-pyrrolidin-3-yl-ureaHCID 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 667580743-(4-Chloro-phenyl)-1-ethyl-1-(1-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-pyrrolidin-3-yl)-urea

Sources & evidence

ORD record
ord-6f471c7c39f246b2be8a4dbf431a69c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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