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1,2-Dichloroethane → HCID 178495034, 화합물

HRID 310306
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HRID 310306 반응식
[C:74](=[O:75])([O-:76])[OH:77].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:17](=[O:18])[OH:19])[cH:9][c:10]2[c:15]1[C:14](=[O:16])[CH2:13][CH2:12][CH2:11]2.[CH3:20][CH:21]([CH2:22][NH:23][CH:24]1[CH2:25][N:26]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:27][CH:28]([C:30](=[O:31])[N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[CH2:29]1)[CH3:45].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69].[Cl:70][CH2:71][CH2:72][Cl:73].[Na+:78].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:17](=[O:19])[N:23]([CH2:22][CH:21]([CH3:20])[CH3:45])[CH:24]2[CH2:25][N:26]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:27][CH:28]([C:30](=[O:31])[N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[CH2:29]2)[cH:9][c:10]2[c:15]1[C:14](=[O:16])[CH2:13][CH2:12][CH2:11]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4455752Chloro(dimethylamino)-N,N-dimethylmethaniminiumHCID 583553891-(4-methoxybutyl)-7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
HCID 178448811HCID 178448811, 화합물

생성물 1

HCID 178495034HCID 178495034, 화합물

출처 및 근거

ORD 기록
ord-e7a2200e4de24620b516dca84946a4d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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