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Hydrochloric Acid → 4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide

HRID 115149
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반응식

HRID 115149 반응식
[CH2:42]([OH:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)-[n:8]1[c:7]([n:14][n:13][cH:12]1)[CH:6]([CH2:15][CH3:16])[N:5]2[CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[ClH:35].[NH2:22][c:23]1[c:24]([O:33][CH3:34])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32]1.[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[OH2:41]>>[c:2]1([NH:22][c:23]2[c:24]([O:33][CH3:34])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)-[n:8]1[c:7]([n:14][n:13][cH:12]1)[CH:6]([CH2:15][CH3:16])[N:5]2[CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 204444344-Amino-3-methoxy-N-methylbenzamideHCID 722857197-chloro-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine

생성물 1

HCID 666725564-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide

출처 및 근거

ORD 기록
ord-fe82e4d78a644c0f8657f9913e82d943
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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