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Methanol → 2-(1-(Benzo[d]thiazol-2-ylcarbamoyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(3-phenoxypropyl)thiazole-4-carboxylic acid

HRID 281400
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HRID 281400 반응식
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:43][OH:44].[Li+:51].[OH-:50].[OH2:52].[s:1]1[c:2]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[s:24][c:25]([CH2:33][CH2:34][CH2:35][O:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:27]4)[cH:21][c:22]32)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[s:24][c:25]([CH2:33][CH2:34][CH2:35][O:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[c:26]([C:28](=[O:29])[OH:30])[n:27]4)[cH:21][c:22]32)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
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참가 물질

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반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium CationHCID 86643666Ethyl 2-(1-(benzo[d]thiazol-2-ylcarbamoyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(3-phenoxypropyl)thiazole-4-carboxylate

생성물 1

HCID 46840521
2-(1-(Benzo[d]thiazol-2-ylcarbamoyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(3-phenoxypropyl)thiazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-df6a90395a264b07b9b304dc7c58ec19
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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