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1,2-Dichloropropane → benzo[b]thiophene-2-carboxylic Acid (4-tert-butylcyclohexyl)-[4-(2H-tetrazol-5-ylcarbamoyl)benzyl]amide

HRID 198488
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HRID 198488 반응식
[Br:55][P+:56]([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1)([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1)[N:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]3[n:21][n:22][nH:23][n:24]3)[cH:25][cH:26]2)[CH2:9][CH2:10]1.[CH3:72][N:73]1[CH2:74][CH2:75][CH2:76][C:77]1=[O:78].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:79][CH2:80][CH:81]([Cl:82])[CH3:83].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[s:27]1[c:28]2[c:29]([cH:30][c:31]1[C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37][cH:38]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]3[n:21][n:22][nH:23][n:24]3)[cH:25][cH:26]2)[C:32]([c:31]2[s:27][c:28]3[c:29]([cH:30]2)[cH:35][cH:36][cH:37][cH:38]3)=[O:33])[CH2:9][CH2:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 65641,2-DichloropropaneHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 95864Benzo(b)thiophene-2-carboxylic acidHCID 2733180Bromotripyrrolidin-1-ylphosphoniumHCID 22502404
4-[(4-tert-butylcyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide

생성물 1

HCID 23550151benzo[b]thiophene-2-carboxylic Acid (4-tert-butylcyclohexyl)-[4-(2H-tetrazol-5-ylcarbamoyl)benzyl]amide

출처 및 근거

ORD 기록
ord-daa2a76e438e41f2af7f82683ac66848
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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