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

HRID 319872
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HRID 319872 반응식
[Br:24][CH2:25][CH2:26][CH:27]=[C:28]1[c:29]2[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]2)[O:31][CH2:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][n:38]2.[C:18](=[O:19])([O-:20])[O-:21].[C:48](#[N:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][NH:10][CH2:11][CH2:12]2)[CH:13]([CH3:14])[CH3:15])[cH:16][cH:17]1.[K+:22].[K+:23].[OH2:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][N:10]([CH2:25][CH2:26][CH:27]=[C:28]3[c:29]4[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]4)[O:31][CH2:32][c:33]4[c:34]3[cH:35][cH:36][cH:37][n:38]4)[CH2:11][CH2:12]2)[CH:13]([CH3:14])[CH3:15])[cH:16][cH:17]1
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 23137053(4-Chloro-benzyl)-isopropyl-pyrrolidin-3-yl-amineHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

생성물 1

HCID 66758983
2-[5-(3-{3-[(4-Chloro-benzyl)-isopropyl-amino]-pyrrolidin-1-yl}-propylidene)-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

출처 및 근거

ORD 기록
ord-7b064098ea8d4449ba2ad77bf5c0d5f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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