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Ammonium → (1, 1-dimethyl-2-(4-oxo-5-(2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-ylmethyl)-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-ylcarbamoyl)ethyl)-carbamic acid tert-butyl ester

HRID 807769
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HRID 807769 반응식
[Br:34][CH2:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[c:43](-[c:48]3[n:49][n:50][n:51][n:52]3[C:53]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)([c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[cH:44][cH:45][cH:46][cH:47]2)[cH:40][cH:41]1.[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[NH:19][C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33].[CH3:74][S:75]([CH3:76])=[O:77].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl-:72].[K+:2].[NH4+:73].[OH-:1].[OH2:84]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[N:19]([CH2:35][c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][n:52]4[C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 10053461
5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetraazole
HCID 53757316HCID 53757316, 화합물

생성물 1

HCID 54197216(1, 1-dimethyl-2-(4-oxo-5-(2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-ylmethyl)-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-ylcarbamoyl)ethyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b0a9a881a04b44bb8f964c250434a886
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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