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Water → 9-Chloro-2-methoxymethyl-5-[1,2,4]triazol-1-yl-4H-1,3,3a,6-tetraaza-benzoazulene

HRID 2162434
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인쇄 미리보기

반응식

HRID 2162434 반응식
[CH3:39][C:40]#[N:41].[CH:6]([N:7]([CH2:8][CH3:9])[CH:10]([CH3:11])[CH3:12])([CH3:13])[CH3:14].[Cl:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:38]1)-[c:26]1[n:27][c:28]([CH2:35][O:36][CH3:37])[n:29][n:30]1[CH2:31][C:32](=[O:34])[NH:33]2.[OH2:42].[P:15]([Cl:16])([Cl:17])([Cl:18])=[O:19].[nH:1]1[n:2][cH:3][n:4][cH:5]1>>[n:1]1([C:32]2=[N:33][c:24]3[cH:23][cH:22][c:21]([Cl:20])[cH:38][c:25]3-[c:26]3[n:27][c:28]([CH2:35][O:36][CH3:37])[n:29][n:30]3[CH2:31]2)[n:2][cH:3][n:4][cH:5]1
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반응물 6

HCID 962WaterHCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 1363478709-Chloro-2-methoxymethyl-6H-1,3,3a,6-tetraaza-benzo[e]azulen-5-one

생성물 1

HCID 684057249-Chloro-2-methoxymethyl-5-[1,2,4]triazol-1-yl-4H-1,3,3a,6-tetraaza-benzoazulene

출처 및 근거

ORD 기록
ord-78ec0f3354704a4187f9259d6fc1d1bd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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