HRID176015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID9834010

未命名化合物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C(C)O

HCID66587201

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C(C)N=[N+]=[N-]

HCID86681291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19ea85278f6448588137087ee1c4bb00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:29][c:30]1[cH:31][c:32]([C:37]2([C:51]([F:52])([F:53])[F:54])[CH2:38][C:39]([c:42]3[cH:43][c:44]([CH3:50])[c:45]([CH:47]([CH3:48])[OH:49])[s:46]3)=[N:40][O:41]2)[cH:33][c:34]([Cl:36])[cH:35]1.[N:18]12[CH2:19][CH2:20][CH2:21][CH:22]=[C:23]1[CH2:24][CH2:25][CH2:26][CH2:27][NH:28]2.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)(=[O:9])[N:15]=[N+:16]=[N-:17])[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[N:15](=[N+:16]=[N-:17])[CH:47]([c:45]1[c:44]([CH3:50])[cH:43][c:42]([C:39]2=[N:40][O:41][C:37]([c:32]3[cH:31][c:30]([Cl:29])[cH:35][c:34]([Cl:36])[cH:33]3)([C:51]([F:52])([F:53])[F:54])[CH2:38]2)[s:46]1)[CH3:48]