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Toluene → 8-(4-Benzyloxy-phenyl)-7-oxo-7H-thieno[2,3-a]quinolizine-10-carboxylic acid cyclopropylmethyl-(2-methoxy-ethyl)-amide

HRID 150139
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HRID 150139 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16](=[O:31])[n:17]3[cH:18][cH:19][c:20]4[c:21]([c:22]3[c:23]([C:25](=[O:26])[OH:27])[cH:24]2)[s:28][cH:29][cH:30]4)[cH:13][cH:14]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH:41]1([CH2:44][NH:45][CH2:46][CH2:47][O:48][CH3:49])[CH2:42][CH2:43]1.[Cl:57][CH2:58][Cl:59].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[S:32]([Cl:33])([Cl:34])=[O:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16](=[O:31])[n:17]3[cH:18][cH:19][c:20]4[c:21]([c:22]3[c:23]([C:25](=[O:27])[N:45]([CH2:44][CH:41]3[CH2:42][CH2:43]3)[CH2:46][CH2:47][O:48][CH3:49])[cH:24]2)[s:28][cH:29][cH:30]4)[cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 1140TolueneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 193536298-[p-(benzyloxy)phenyl]-7-oxo-7H-thieno[2,3-a]quinolizine-10-carboxylic acidHCID 19353678(Cyclopropylmethyl)(2-methoxyethyl)amine

생성물 1

HCID 566100038-(4-Benzyloxy-phenyl)-7-oxo-7H-thieno[2,3-a]quinolizine-10-carboxylic acid cyclopropylmethyl-(2-methoxy-ethyl)-amide

출처 및 근거

ORD 기록
ord-243abce8ba0c433ebdef6aa0f7181a44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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