Water → HCID 178431605, 화합물

HRID 154045

반응식

HRID 154045 반응식
[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:36][C:37]1([CH3:44])[O:38][CH2:39][C:40](=[O:43])[CH2:41][O:42]1.[Cl:45][CH2:46][Cl:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:48]>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([CH:40]4[CH2:39][O:38][C:37]([CH3:36])([CH3:44])[O:42][CH2:41]4)[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 27331412,2-Dimethyl-1,3-dioxan-5-oneHCID 178510382HCID 178510382, 화합물

생성물 1

HCID 178431605HCID 178431605, 화합물

출처 및 근거

ORD 기록
ord-5b549c46c7d748708391cb5fbacd0eee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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