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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → 4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-piperidin-4-yl-benzamide

HRID 167380
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반응식

HRID 167380 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[n:24][cH:25][c:26]4[c:27]([n:43]3)[N:28]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[CH2:29][C:30]([F:35])([F:36])[C:31](=[O:34])[N:32]4[CH3:33])[cH:20][cH:21]2)=[O:44])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:52][CH2:53][Cl:54].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[n:24][cH:25][c:26]4[c:27]([n:43]3)[N:28]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[CH2:29][C:30]([F:35])([F:36])[C:31](=[O:34])[N:32]4[CH3:33])[cH:20][cH:21]2)=[O:44])[CH2:12][CH2:13]1
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반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 580149764-[4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 580149904-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-piperidin-4-yl-benzamide

출처 및 근거

ORD 기록
ord-3fcb6e1e53ad43a5a0ab55f6cd10de34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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