Ethyl Acetate → HCID 67373624, 화합물

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH2:13][OH:14])([NH2:15])[CH2:11][CH2:12]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[F:16][c:17]1[c:18]([O:23][C:24](=[O:19])[c:26]2[n:27][n:28][c:29]([CH2:45][CH2:46][CH2:47][CH3:48])[c:30](-[c:32]3[cH:33][cH:34][c:35]([O:38][CH:39]4[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]4)[cH:36][cH:37]3)[cH:31]2)[c:20]([F:21])[c:22]([F:25])[c:49]([F:50])[c:51]1[F:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH2:13][OH:14])([NH:15][C:24](=[O:23])[c:26]2[n:27][n:28][c:29]([CH2:45][CH2:46][CH2:47][CH3:48])[c:30](-[c:32]3[cH:33][cH:34][c:35]([O:38][CH:39]4[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]4)[cH:36][cH:37]3)[cH:31]2)[CH2:11][CH2:12]1

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 24730317tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate

HCID 866578236-Butyl-5-(4-cyclohexyloxy-phenyl)-pyridazine-3-carboxylic acid pentafluorophenyl ester

생성물 1

HCID 67373624HCID 67373624, 화합물

출처 및 근거

ORD 기록: ord-63d9ec8b09584c16b15fb11ce93b64b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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