Water → HCID 58709765, 화합물
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[C-:38]#[N:39].[C-:41]#[N:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][c:20]([Br:32])[c:21]3[NH:22][c:23]3[cH:24][c:25]4[cH:26][n:27][nH:28][c:29]4[cH:30][cH:31]3)[nH:33]2)=[CH:12][CH2:13]1.[CH3:35][C:36]#[N:37].[OH2:34].[Zn+2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][c:20]([C:36]#[N:37])[c:21]3[NH:22][c:23]3[cH:24][c:25]4[cH:26][n:27][nH:28][c:29]4[cH:30][cH:31]3)[nH:33]2)=[CH:12][CH2:13]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-3035a0d78bcf45c5bf688de51c89ae76
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)