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Hydrochloric Acid → ethyl 1-[N-(3,4-methylenedioxyphenylcarbonyl) amino]cyclohexanecarboxylate

HRID 139912
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인쇄 미리보기

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HRID 139912 반응식
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]2[O:12]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH:31]1([N:32]=[C:33]=[N:34][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Cl:59][CH2:60][Cl:61].[ClH:46].[NH2:47][C:48]1([C:54](=[O:55])[O:56][CH2:57][CH3:58])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:20].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:8])[NH:47][C:48]3([C:54](=[O:55])[O:56][CH2:57][CH3:58])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[cH:9][cH:10][c:11]2[O:12]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 71961,3-Benzodioxole-5-carboxylic acidHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 757711-Hydroxybenzotriazole
HCID 222863
Ethyl 1-aminocyclohexanecarboxylate

생성물 1

HCID 23297898ethyl 1-[N-(3,4-methylenedioxyphenylcarbonyl) amino]cyclohexanecarboxylate

출처 및 근거

ORD 기록
ord-7c9223114954440e97fbdccc7ddbbb93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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