HCID 178460429, 화합물 → HCID 178460332, 화합물

반응식

[C:1]([CH2:2][CH3:3])(=[O:4])[O:5][CH:6]1[C:7]2([CH3:8])[CH:9]([CH2:10][CH2:11]1)[CH:12]1[CH2:13][CH2:14][C:15]3=[C:16]([CH3:30])[CH2:17][CH2:18][CH2:19][C:20]3([CH2:21][O:22][C:23](=[O:24])[CH2:25][CH3:26])[CH:27]1[CH2:28][CH2:29]2.[C:31]([O:32][CH:33]1[CH2:34][CH2:35][CH:36]2[CH:37]3[CH:38]([CH2:39][CH2:40][C:41]12[CH3:42])[C:43]1([CH2:44][O:45][C:46](=[O:47])[CH2:48][CH3:49])[C:50](=[CH:51][CH2:52][CH2:53][CH:54]1[CH3:55])[CH2:56][CH2:57]3)(=[O:58])[CH2:59][CH3:60]>>[C:1]([CH2:2][CH3:3])(=[O:4])[O:5][CH:6]1[C:7]2([CH3:8])[CH:9]([CH2:10][CH2:11]1)[CH:12]1[CH2:13][CH2:14][C:15]3=[C:16]([CH3:30])[CH2:17][CH2:18][CH2:19][C:20]3([CH2:21][OH:22])[CH:27]1[CH2:28][CH2:29]2

참가 물질

반응물 2

HCID 178460429HCID 178460429, 화합물

HCID 178460430HCID 178460430, 화합물

생성물 1

HCID 178460332HCID 178460332, 화합물

출처 및 근거

ORD 기록: ord-04b383ea7aeb41db8fa29af723ba11ac
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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