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Hydrochloric Acid → 4-cyano-N-[1-(3-cyanophenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide

HRID 97598
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HRID 97598 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:6][CH2:7][CH:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)[NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:25][cH:26][cH:27]1.[C:28](#[N:29])[c:30]1[cH:31][cH:32][c:33]([C:34]([OH:35])=[O:36])[cH:37][cH:38]1.[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[ClH:39].[ClH:61].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[OH2:74].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:6][CH2:7][CH:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)[NH:17][C:18](=[O:24])[c:33]2[cH:32][cH:31][c:30]([C:28]#[N:29])[cH:38][cH:37]2)[cH:25][cH:26][cH:27]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 8471TriethylamineHCID 120874-Cyanobenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-Dioxane2회HCID 757711-Hydroxybenzotriazole
HCID 178453723
HCID 178453723, 화합물

생성물 1

HCID 775606584-cyano-N-[1-(3-cyanophenoxy)-3-(4-iodophenyl)propan-2-yl]benzamide

출처 및 근거

ORD 기록
ord-3dbe6cef7fb54ad6bcdbdb81b029986e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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