HRID936967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID18940396

1-Methylpyrrolidin-3-amine

C5H12N2

结构：COc1cc(C(=O)O)c(Cl)cc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

HCID68685647

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)C2)c(Cl)cc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

HCID178492668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-399fa58b65854cf6972823903500a454
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

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