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Water → 2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-(5-tert-butyl-2H-pyrazol-3-yl)-carbamic acid 2,2,2-trichloro-ethyl ester

HRID 2131757
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HRID 2131757 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:20])[n:8]([CH2:10][CH2:11][O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[n:9]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:27][C:28](=[O:29])[O:30][CH2:31][C:32]([Cl:33])([Cl:34])[Cl:35].[OH2:47].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:20][C:28](=[O:29])[O:30][CH2:31][C:32]([Cl:33])([Cl:34])[Cl:35])[n:8]([CH2:10][CH2:11][O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[n:9]1
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반응물 6

HCID 962WaterHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 870632,2,2-Trichloroethyl chloroformateHCID 685465445-tert-Butyl-2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2H-pyrazol-3-ylamine

생성물 1

HCID 68542210
2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-(5-tert-butyl-2H-pyrazol-3-yl)-carbamic acid 2,2,2-trichloro-ethyl ester

출처 및 근거

ORD 기록
ord-bad99bf4f0c14fe1b322c3e1b5b5fb5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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