Dichloromethane → 11-Bromo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

반응식

[Br:1][c:2]1[cH:3][c:4]([N+:18]([O-:15])=[O:16])[c:5]([N:8]2[CH:9]([C:13](=[O:14])[O:17][CH2:19][CH3:20])[CH2:10][CH2:11][CH2:12]2)[n:6][cH:7]1.[Cl:43][CH2:44][Cl:45].[P:21]([O:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]1[CH:9]([CH2:10][CH2:11][CH2:12]1)[C:13](=[O:14])[NH:18]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 7540Triphenyl phosphite

HCID 62005929Ethyl 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate

생성물 1

HCID 6809164811-Bromo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

출처 및 근거

ORD 기록: ord-009f6d4852e9464992d76cf2cf2ef8af
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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