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Water → HCID 44556133, 화합물

HRID 670131
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HRID 670131 반응식
[CH3:44][Si:45]([CH3:46])([CH3:47])[C:48]#[N:49].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([C:3](=[O:4])[NH:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][C:8](=[O:10])[CH2:9]1)([F:42])[F:43].[I-:54].[I-:56].[OH2:50].[Zn+2:55]>>[F:1][C:2]([C:3](=[O:4])[NH:5][C:6]1([c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][c:19]4[cH:20][cH:21][n:22]5[c:23]([c:24]4[cH:25][c:26]3-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:33][n:34][c:35]5-[c:36]3[n:37][cH:38][cH:39][cH:40][n:41]3)[cH:15][cH:16]2)[CH2:7][C:8]([OH:10])([C:48]#[N:49])[CH2:9]1)([F:42])[F:43]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6344DichloromethaneHCID 30165Iodide Ion2회HCID 32051Zinc(2+)HCID 82115Trimethylsilyl cyanideHCID 582298532,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

생성물 1

HCID 44556133
HCID 44556133, 화합물

출처 및 근거

ORD 기록
ord-14b60433ab8b48a5aff74db580eb125b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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