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Ethanol → HCID 178467953, 화합물

HRID 282240
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HRID 282240 반응식
[B-:18]([F:19])([F:20])([F:21])[F:22].[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1.[Br:65][Cl:66].[CH2:72]([OH:73])[CH3:74].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][O:59][CH2:60][CH3:61])[NH2:62])[n:56]2)[cH:63][cH:64]1.[Cl:75][CH2:76][Cl:77].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:62][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:64][cH:63]3)[n:56]2)[CH2:58][O:59][CH2:60][CH3:61])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 61697BROMINE CHLORIDE (BrCl)HCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 69309865
3-Bromo-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid
HCID 178467928HCID 178467928, 화합물

생성물 1

HCID 178467953HCID 178467953, 화합물

출처 및 근거

ORD 기록
ord-1cb3534a4e1e49c79992bee701f371b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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