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Hydrochloric Acid → HCID 178503814, 화합물

HRID 685370
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HRID 685370 반응식
[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:70]([OH:71])[CH3:72].[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][S:59][CH3:60])[NH2:61])[n:56]2)[cH:62][cH:63]1.[Cl:64].[Cl:73][CH2:74][Cl:75].[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1.[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]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>>[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[cH:10][c:11]([C:12](=[O:14])[NH:61][CH:57]([c:55]3[nH:54][c:53]4[c:52]([cH:51][c:50]([Cl:49])[cH:63][cH:62]4)[n:56]3)[CH2:58][S:59][CH3:60])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 11858638
3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid
HCID 178503809HCID 178503809, 화합물

생성물 1

HCID 178503814HCID 178503814, 화합물

출처 및 근거

ORD 기록
ord-88287579fa8c4d489f7ba337d993dc1f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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