HRID177201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID74713

5-Methylthiophene-2-carboxylic acid

C6H6O2S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID57989237

2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane

C19H22N2O

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N2CCOC3(C2)CN(C(c2ccccc2)c2ccccc2)C3)s1

HCID57989184

[2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]non-8-yl](5-methyl-2-thienyl)methanone

C25H26N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-deb022e7aaaf44caac9ecef5ba1aaada
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

[CH3:25][c:26]1[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[s:30]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[N:47]1[CH2:48][C:49]2([CH2:50]1)[O:51][CH2:52][CH2:53][NH:54][CH2:55]2.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:25][c:26]1[cH:27][cH:28][c:29]([C:31](=[O:33])[N:54]2[CH2:53][CH2:52][O:51][C:49]3([CH2:48][N:47]([CH:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:50]3)[CH2:55]2)[s:30]1