HRID827858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6367

Acetyl chloride

C2H3ClO

HCID8027

Pyrrole

C4H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CN1CCN(c2nc(-c3ccc(C(=O)O)cc3)c(F)s2)CC1

HCID57551985

未命名化合物

结构：COC1(OC)COC2C(Cl)CN(C(=O)C(CNC(=O)OC(C)(C)C)C(C)C)C21

HCID86626338

未命名化合物

PRODUCTS

生成物

结构：COC1(OC)COC2C(Cl)CN(C(=O)C(CNC(=O)c3ccc(-c4nc(N5CCN(C)CC5)sc4F)cc3)C(C)C)C21

HCID66929964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b74dbc65a1b044109569957b6319d82b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([O:2][C:6]([NH:7][CH2:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[N:15]1[CH:16]2[CH:17]([CH:18]([Cl:20])[CH2:19]1)[O:21][CH2:22][C:23]2([O:24][CH3:25])[O:26][CH3:27])=[O:28])([CH3:3])([CH3:4])[CH3:5].[CH3:29][C:30](=[O:31])[Cl:32].[CH3:86][OH:87].[ClH:33].[ClH:39].[F:40][c:41]1[c:42](-[c:53]2[cH:54][cH:55][c:56]([C:57]([OH:58])=[O:59])[cH:60][cH:61]2)[n:43][c:44]([N:46]2[CH2:47][CH2:48][N:49]([CH3:52])[CH2:50][CH2:51]2)[s:45]1.[P-:62]([F:63])([F:64])([F:65])([F:66])([F:67])[F:68].[n:69]1([O:70][C:71]([N:72]([CH3:73])[CH3:74])=[N+:75]([CH3:76])[CH3:77])[c:78]2[n:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1.[nH:34]1[cH:35][cH:36][cH:37][cH:38]1>>[C:6]([NH:7][CH2:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[N:15]1[CH:16]2[CH:17]([CH:18]([Cl:20])[CH2:19]1)[O:21][CH2:22][C:23]2([O:24][CH3:25])[O:26][CH3:27])(=[O:28])[c:56]1[cH:55][cH:54][c:53](-[c:42]2[c:41]([F:40])[s:45][c:44]([N:46]3[CH2:47][CH2:48][N:49]([CH3:52])[CH2:50][CH2:51]3)[n:43]2)[cH:61][cH:60]1