HCID 178460428, 화합물 → HCID 178460331, 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=[CH:16][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:30]([O:31][CH:32]1[CH2:33][CH2:34][CH:35]2[CH:36]3[CH:37]([CH2:38][CH2:39][C:40]12[CH3:41])[C:42]1([CH2:43][O:44][C:45](=[O:46])[CH2:47][CH3:48])[C:49](=[CH:50][CH2:51][CH2:52][CH:53]1[CH3:54])[CH2:55][CH2:56]3)(=[O:57])[CH2:58][CH3:59]>>[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=[CH:16][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 178460428HCID 178460428, 화합물

HCID 178460429HCID 178460429, 화합물

생성물 1

HCID 178460331HCID 178460331, 화합물

출처 및 근거

ORD 기록: ord-b5191640eda64039a2ba784e7a932520
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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