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Ammonium → N-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamine

HRID 2158049
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HRID 2158049 반응식
[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[Cl-:80].[Cl:72][N:73]1[C:74](=[O:75])[CH2:76][CH2:77][C:78]1=[O:79].[NH4+:81].[c:12]1([CH2:18][CH2:19][n:20]2[n:21][c:22]([N:31]([CH2:32][c:33]3[cH:34][cH:35][c:36](-[c:39]4[c:40](-[c:45]5[n:46][n:47][n:48][n:49]5[C:50]([c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)([c:57]5[cH:58][cH:59][cH:60][cH:61][cH:62]5)[c:63]5[cH:64][cH:65][cH:66][cH:67][cH:68]5)[cH:41][cH:42][cH:43][cH:44]4)[cH:37][cH:38]3)[CH2:69][CH2:70][CH3:71])[c:23]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:24]2[Br:25])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[c:12]1([CH2:18][CH2:19][n:20]2[n:21][c:22]([N:31]([CH2:32][c:33]3[cH:34][cH:35][c:36](-[c:39]4[c:40](-[c:45]5[n:46][n:47][n:48][n:49]5[C:50]([c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)([c:57]5[cH:58][cH:59][cH:60][cH:61][cH:62]5)[c:63]5[cH:64][cH:65][cH:66][cH:67][cH:68]5)[cH:41][cH:42][cH:43][cH:44]4)[cH:37][cH:38]3)[CH2:69][CH2:70][CH3:71])[c:23]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:24]2[Cl:72])[cH:13][cH:14][cH:15][cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 31398ChlorosuccinimideHCID 22103828N-[1-(2-phenylethyl)-4-ethoxycarbonyl-5-bromopyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))biphenyl-4-yl)methyl]-n-propylamineHCID 178418339
Butyllithium

생성물 1

HCID 22103835N-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamine

출처 및 근거

ORD 기록
ord-f4c41bbb402547ccbbfbb6b27ee06dd6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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