HRID184345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID46783205

2-Butyl-4-chloro-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylic acid

C41H35ClN6O2

结构：CC(Cl)OC(=O)OCCCC(O[N+](=O)[O-])C(C)O[N+](=O)[O-]

HCID87474976

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(Cl)c(C(=O)OC(C)OC(=O)OCCCC(O[N+](=O)[O-])C(C)O[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178441699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f18973d5fbb241499b5a54b294e6d786
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

[C:6]([O:7][CH2:8][CH2:9][CH2:10][CH:11]([CH:12]([CH3:13])[O:14][N+:15](=[O:16])[O-:17])[O:18][N+:19](=[O:20])[O-:21])([O:22][CH:23]([CH3:24])[Cl:25])=[O:26].[C:77](=[O:78])([O-:79])[O-:80].[CH2:27]([CH2:28][CH2:29][CH3:30])[c:31]1[n:32]([CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:53]4[n:54][n:55][n:56][n:57]4[C:58]([c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)([c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[c:71]4[cH:72][cH:73][cH:74][cH:75][cH:76]4)[cH:49][cH:50][cH:51][cH:52]3)[cH:45][cH:46]2)[c:33]([C:37](=[O:38])[OH:39])[c:34]([Cl:36])[n:35]1.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[Cs+:81].[Cs+:82].[OH2:83]>>[C:6]([O:7][CH2:8][CH2:9][CH2:10][CH:11]([CH:12]([CH3:13])[O:14][N+:15](=[O:16])[O-:17])[O:18][N+:19](=[O:20])[O-:21])([O:22][CH:23]([CH3:24])[O:39][C:37]([c:33]1[n:32]([CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:53]4[n:54][n:55][n:56][n:57]4[C:58]([c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)([c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[c:71]4[cH:72][cH:73][cH:74][cH:75][cH:76]4)[cH:49][cH:50][cH:51][cH:52]3)[cH:45][cH:46]2)[c:31]([CH2:27][CH2:28][CH2:29][CH3:30])[n:35][c:34]1[Cl:36])=[O:38])=[O:26]