HRID112435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID18013

2-(Trimethylsilyl)ethanol

C5H14OSi

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(O)C(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

HCID59458464

未命名化合物

PRODUCTS

生成物

结构：NC(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

HCID59459252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b49c8f18d7954d629c726e5d8bf43f02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9]([C:10]([OH:11])=[O:12])([c:13]2[cH:14][c:15]([O:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]2)[c:24]2[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]2)[cH:6][cH:7]1.[CH2:84]1[O:85][CH2:86][CH2:87][CH2:88]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:59][Si:60]([CH3:61])([CH3:62])[CH2:63][CH2:64][OH:65].[CH3:67][CH2:68][CH2:69][CH2:70][N+:71]([CH2:72][CH2:73][CH2:74][CH3:75])([CH2:76][CH2:77][CH2:78][CH3:79])[CH2:80][CH2:81][CH2:82][CH3:83].[Cl:95][CH2:96][Cl:97].[F-:66].[O:89]1[CH2:90][CH2:91][O:92][CH2:93][CH2:94]1.[c:42]1([P:43]([N:44]=[N+:45]=[N-:46])([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)=[O:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9]([c:13]2[cH:14][c:15]([O:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]2)([c:24]2[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]2)[NH2:37])[cH:6][cH:7]1