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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-cyclopropyl-3-methyl-4-[4-[(7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide

HRID 691576
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HRID 691576 반응식
[C:39]([CH2:40][P+:41]([CH3:42])([CH3:43])[CH3:44])#[N:45].[C:55](#[N:56])[CH2:57][CH3:58].[CH2:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH:51]([CH3:52])[CH3:53])[CH3:54].[CH:19]1([NH:22][C:23]([c:24]2[cH:25][c:26]([CH3:36])[c:27]([N:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:28][cH:29]2)=[O:37])[CH2:20][CH2:21]1.[ClH:17].[ClH:18].[I-:38].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:16])[NH:6]2)[CH2:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:16])[NH:6]2)[CH2:15][CH2:14][CH2:13]1)[N:33]1[CH2:32][CH2:31][N:30]([c:27]2[c:26]([CH3:36])[cH:25][c:24]([C:23]([NH:22][CH:19]3[CH2:20][CH2:21]3)=[O:37])[cH:29][cH:28]2)[CH2:35][CH2:34]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 28749406N-Cyclopropyl-3-methyl-4-(piperazin-1-yl)benzamideHCID 68784930
11-(Hydroxymethyl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

생성물 1

HCID 75236172N-cyclopropyl-3-methyl-4-[4-[(7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzamide

출처 및 근거

ORD 기록
ord-ee0ddfd13cd248138e7eec3630e046cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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