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Hydrochloric Acid → HCID 86592321, 화합물

HRID 1235564
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HRID 1235564 반응식
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][C:25]([NH:26][CH2:27][CH:28]1[CH2:29][CH:30]([NH2:34])[CH2:31][CH2:32][CH2:33]1)=[O:35].[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][o:10][c:11]([CH3:16])[c:12]1[C:13](=[O:14])[OH:15].[ClH:36].[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][o:10][c:11]([CH3:16])[c:12]1[C:13](=[O:15])[NH:34][CH:30]1[CH2:29][CH:28]([CH2:27][NH:26][C:25]([O:24][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:35])[CH2:33][CH2:32][CH2:31]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 22170148HCID 22170148, 화합물HCID 22714145(3-Amino-cyclohexylmethyl)-carbamic acid benzyl ester

생성물 1

HCID 86592321HCID 86592321, 화합물

출처 및 근거

ORD 기록
ord-98b012279f4f41eb9cb80144c697ab0d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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