HRID183020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID83692

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

C8H15NO4

HCID4641409

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

C10H15N6O+

结构：CC(CN)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID77596580

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)CN(C)C(=O)OC(C)(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID76678968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0c56113ad1c44c4acd5c248f0f0101a
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:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[N:48]([CH3:49])[CH2:50][C:51](=[O:52])[OH:53].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:78][CH2:79][Cl:80].[NH2:1][CH2:2][CH:3]([O:4][c:5]1[c:6]2[c:7]([NH:15][c:16]3[cH:17][c:18]([Cl:30])[c:19]([O:22][CH2:23][c:24]4[n:25][cH:26][cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[n:8][cH:9][n:10][c:11]2[cH:12][cH:13][cH:14]1)[CH3:31].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[NH:1]([CH2:2][CH:3]([O:4][c:5]1[c:6]2[c:7]([NH:15][c:16]3[cH:17][c:18]([Cl:30])[c:19]([O:22][CH2:23][c:24]4[n:25][cH:26][cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[n:8][cH:9][n:10][c:11]2[cH:12][cH:13][cH:14]1)[CH3:31])[C:51]([CH2:50][N:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[CH3:49])=[O:52]