HRID1574789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID432708

4-(TERT-BUTYL)BENZENE-1,2-DIAMINE

C10H16N2

HCID4641409

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

C10H15N6O+

结构：COc1ccc(CNc2ncnc3c2ccn3C2OC(CN(C(C)C)C3CC(CCC(=O)O)C3)C3OC(C)(C)OC32)c(OC)c1

HCID178491003

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncnc3c2ccn3C2OC(CN(C(C)C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4N)C3)C3OC(C)(C)OC32)c(OC)c1

HCID178491002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5017b1082c149c8baf9c4c00f479671
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

[C:70]([CH3:71])([CH3:72])([CH3:73])[c:74]1[cH:75][c:76]([NH2:81])[c:77]([NH2:80])[cH:78][cH:79]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[O:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH2:31]4)[CH:37]([CH3:38])[CH3:39])[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:40][cH:41][c:42]([O:44][CH3:45])[cH:43]1.[Cl:82][CH2:83][Cl:84].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[O:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[NH:80][c:77]5[c:76]([NH2:81])[cH:75][c:74]([C:70]([CH3:71])([CH3:72])[CH3:73])[cH:79][cH:78]5)[CH2:31]4)[CH:37]([CH3:38])[CH3:39])[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:40][cH:41][c:42]([O:44][CH3:45])[cH:43]1