HRID109340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4

1-Amino-2-propanol

C3H9NO

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

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+

结构：CC(C)(C)CC1NC(C(=O)N2CCC(CC(=O)O)CC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID72244045

未命名化合物

PRODUCTS

生成物

结构：CC(O)CNC(=O)CC1CCN(C(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)CC1

HCID72244054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57ecac375e3a4e29b145d4dd5242b776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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