HRID1545020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID96215

Imidazole-4-acetic acid

C5H6N2O2

HCID4641409

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

C10H15N6O+

结构：Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12

HCID56962369

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(CNC(=O)Cc4cnc[nH]4)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12

HCID44482114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdcb31d23cdf4d2baaf38fd9c8dee123
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:43][C:44](=[O:45])[O-:46].[CH3:47][N:48]([C:49]([O:50][c:51]1[cH:52][c:53]([NH:57][C:58](=[O:59])[C:60]2([CH2:76][NH2:77])[CH2:61][CH2:62][N:63]([c:66]3[c:67]4[c:68]([n:69][cH:70][n:71]3)[nH:72][cH:73][c:74]4[CH3:75])[CH2:64][CH2:65]2)[cH:54][cH:55][cH:56]1)=[O:78])[CH3:79].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:80][CH2:81][Cl:82].[OH2:83].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[nH:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][C:7](=[O:8])[OH:9]>>[nH:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][C:7](=[O:9])[NH:77][CH2:76][C:60]1([C:58]([NH:57][c:53]2[cH:52][c:51]([O:50][C:49]([N:48]([CH3:47])[CH3:79])=[O:78])[cH:56][cH:55][cH:54]2)=[O:59])[CH2:61][CH2:62][N:63]([c:66]2[c:67]3[c:68]([n:69][cH:70][n:71]2)[nH:72][cH:73][c:74]3[CH3:75])[CH2:64][CH2:65]1