HRID944862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID78548

3-Hydroxy-2,2-dimethylpropionic acid

C5H10O3

HCID4641409

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

C10H15N6O+

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccc3c(c2)OCO3)CCNCC1

HCID68677072

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccc3c(c2)OCO3)CCN(C(=O)C(C)(C)CO)CC1

HCID72403823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ea2609fd5fa41998ea5ef420873f480
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][OH:51])[CH3:52].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[Cl:83][CH2:84][Cl:85].[ClH:1].[ClH:2].[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1)[cH:11]2.[OH2:82].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][N:15]([C:47]([C:46]([CH3:45])([CH2:50][OH:51])[CH3:52])=[O:48])[CH2:16][CH2:17]1)[cH:11]2