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Hydrochloric Acid → Ethyl 1-(3,4-dichlorobenzyl)-7-(2-(1-methyl-1H-imidazole-4-sulfonamido)ethoxy)-1,2,3,4-tetrahydronaphthalen-2-ylcarbamate

HRID 184037
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HRID 184037 반응식
[CH3:31][n:32]1[cH:33][n:34][c:35]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:36]1.[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[Cl:51][CH2:52][Cl:53].[ClH:1].[NH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH:13]([CH2:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)[CH:12]([NH:25][C:26]([O:27][CH2:28][CH3:29])=[O:30])[CH2:11][CH2:10]2.[OH2:41]>>[NH:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH:13]([CH2:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)[CH:12]([NH:25][C:26]([O:27][CH2:28][CH3:29])=[O:30])[CH2:11][CH2:10]2)[S:37]([c:35]1[n:34][cH:33][n:32]([CH3:31])[cH:36]1)(=[O:38])=[O:39]
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 27368871-methyl-1H-imidazole-4-sulfonyl chlorideHCID 59547763ethyl N-[7-(2-aminoethoxy)-1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

생성물 1

HCID 46870449
Ethyl 1-(3,4-dichlorobenzyl)-7-(2-(1-methyl-1H-imidazole-4-sulfonamido)ethoxy)-1,2,3,4-tetrahydronaphthalen-2-ylcarbamate

출처 및 근거

ORD 기록
ord-571d2376f37849f38e4d67a095b5487a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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