홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Bicarbonate Ion → 3-methoxy-4-[[5-methyl-6-oxidanylidene-9-(phenylmethyl)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

HRID 2320640
노트
인쇄 미리보기

반응식

HRID 2320640 반응식
[C:75](=[O:76])([OH:77])[O-:78].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:17][n:18][c:19]([NH:21][c:22]3[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]3)[n:20]2)[N:11]([CH3:16])[C:12](=[O:15])[CH2:13][CH2:14]1.[CH2:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH:62]([CH3:63])[CH3:64])[CH3:65].[CH3:40][N:41]([C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]1[c:47]2[c:48]([n:49][cH:50][cH:51][cH:52]2)[N+:53]([O-:54])=[N:55]1)[CH3:56].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[NH2:66][CH:67]1[CH2:68][CH2:69][N:70]([CH3:73])[CH2:71][CH2:72]1.[Na+:79].[OH2:74].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:17][n:18][c:19]([NH:21][c:22]3[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[NH:66][CH:67]4[CH2:68][CH2:69][N:70]([CH3:73])[CH2:71][CH2:72]4)[cH:29][cH:30]3)[n:20]2)[N:11]([CH3:16])[C:12](=[O:15])[CH2:13][CH2:14]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375314-Amino-1-methylpiperidine
HCID 58153909
4-(9-benzyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl amino)-3-methoxy-benzoic acid
HCID 178484291HCID 178484291, 화합물

생성물 1

HCID 426103603-methoxy-4-[[5-methyl-6-oxidanylidene-9-(phenylmethyl)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

출처 및 근거

ORD 기록
ord-e58b3e892358492d95ac86d52b512fb2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트