HRID1236575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CCn1cnc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID86605747

未命名化合物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID86605775

未命名化合物

PRODUCTS

生成物

结构：CCn1cnc(C=Cc2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)c1

HCID69214801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f31e411288044eb5a3254d4822f1b011
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:66](=[O:67])([O-:68])[O-:69].[CH2:39]([CH3:40])[n:41]1[cH:42][n:43][c:44]([CH2:46][P+:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:45]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Cl-:38].[ClH:37].[K+:70].[K+:71].[OH2:77].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[CH:46][c:44]4[n:43][cH:42][n:41]([CH2:39][CH3:40])[cH:45]4)[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1