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Potassium Cation → 3-tert-butoxycarbonyl-7-chloro-6-[3-(2-oxo-2,3-dihydro-indol-1-yl)-propylthio]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 286590
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인쇄 미리보기

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HRID 286590 반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][c:13]2[c:14]([c:17]([S:22][C:23](=[O:24])[N:25]([CH3:26])[CH3:27])[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:15][CH2:16]1.[CH3:45][OH:46].[Cl:28][CH2:29][CH2:30][CH2:31][N:32]1[C:33](=[O:41])[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21.[Cl:42][CH2:43][Cl:44].[K+:2].[OH-:1].[OH2:47]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][c:13]2[c:14]([c:17]([S:22][CH2:29][CH2:30][CH2:31][N:32]3[C:33](=[O:41])[CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]43)[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:15][CH2:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 180699061-(3-Chloropropyl)indolin-2-oneHCID 576559793-tert-butoxycarbonyl-7-chloro-6-dimethylaminocarbonylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물

1
HCID 667071123-tert-butoxycarbonyl-7-chloro-6-[3-(2-oxo-2,3-dihydro-indol-1-yl)-propylthio]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록
ord-4dd6926d7f2e4caaa1cd29a4d039c91f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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