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Hydrochloric Acid → ethyl 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-5-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]acetate

HRID 170018
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HRID 170018 반응식
[Br:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42].[Cl:49][CH2:50][Cl:51].[ClH:43].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:24])[NH:11][CH2:12][CH:13]2[CH2:14][c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[H-:34].[Na+:35].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:52]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:24])[N:11]([CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:12][CH:13]2[CH2:14][c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 7748Ethyl bromoacetateHCID 8028TetrahydrofuranHCID 166653HydrideHCID 178516785CID 21218629

생성물 1

HCID 21218635ethyl 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-5-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]acetate

출처 및 근거

ORD 기록
ord-abfbc92310ab4b91bce07172f288d64e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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