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Hydrochloric Acid → Hydrochloric Acid

HRID 166325
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HRID 166325 반응식
[CH2:21]([N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[CH3:31].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:67][CH2:68][Cl:69].[ClH:20].[ClH:42].[ClH:43].[NH2:44][CH:45]1[CH2:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH:51]([CH2:52]1)[N:53]2[CH3:54].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1.[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[ClH:20].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:19])[NH:44][CH:45]2[CH2:46][CH:47]4[CH2:48][CH2:49][CH2:50][CH:51]([CH2:52]2)[N:53]4[CH3:54])[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 313Hydrochloric Acid3회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 144031759-Methyl-9-azabicyclo(3.3.1)nonan-3-amine
HCID 135957253
Caboxamycin

생성물 2

HCID 313Hydrochloric AcidHCID 136162984N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-2-(2-hydroxyphenyl)benzoxazole-4-carboxamide

출처 및 근거

ORD 기록
ord-6b6070750ea84a6ba1fd190ec536b6d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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