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Hydrochloric Acid → tert-butyl 4-phenethyl-2-(6-(1H-pyrrol-1-yl)pyridine-3-carboxamido)benzoate

HRID 1559391
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HRID 1559391 반응식
[CH2:57]([Cl:58])[Cl:59].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:43].[NH2:21][c:22]1[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33]([CH2:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:34]1.[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[OH:20])[cH:16][n:17]2)[cH:8][cH:9][cH:10][cH:11]1>>[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:18](=[O:20])[NH:21][c:22]3[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33]([CH2:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:34]3)[cH:16][n:17]2)[cH:8][cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 27641006-(1H-Pyrrol-1-yl)nicotinic acid
HCID 58508624
Tert-butyl 2-amino-4-phenethylbenzoate

생성물 1

HCID 67342233tert-butyl 4-phenethyl-2-(6-(1H-pyrrol-1-yl)pyridine-3-carboxamido)benzoate

출처 및 근거

ORD 기록
ord-2820401a418842efbd31c63876086fae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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