Water → Ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxylate
반응식
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:31]1)[C:12]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[N:13][CH2:14][c:15]1[n:16]-2[cH:17][n:18][c:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24].[OH2:32]>>[CH:5]#[C:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:31]1)[C:12]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[N:13][CH2:14][c:15]1[n:16]-2[cH:17][n:18][c:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24]참가 물질
4
출처 및 근거
- ORD 기록
- ord-92c90c363f164b358d0b298d443bbf0c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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