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Hydrochloric Acid → tert-butyl N-[2-[3-[1-(4-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enoylamino]phenyl]carbamate

HRID 164607
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HRID 164607 반응식
[C:45](=[O:46])([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[NH:52][c:53]1[c:54]([NH2:59])[cH:55][cH:56][cH:57][cH:58]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[ClH:33].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:13][cH:14]2)[cH:5][cH:6]1>>[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:15]=[CH:16][C:17](=[O:18])[NH:59][c:54]3[c:53]([NH:52][C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:58][cH:57][cH:56][cH:55]3)[cH:13][cH:14]2)[cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 676311N-(tert-Butoxycarbonyl)-1,2-phenylenediamineHCID 666461483-[1-(4-Phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enoic acid

생성물 1

HCID 66646110
tert-butyl N-[2-[3-[1-(4-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enoylamino]phenyl]carbamate

출처 및 근거

ORD 기록
ord-3d3bf5b1aba8495e9b19456a778c7a4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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