HRID952577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7917

Isopropyl chloroformate

C4H7ClO2

反应SMILES：N#Cc1c(-c2ccc(N)c(Cl)c2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12

HCID59430670

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1Cl

HCID25050998

Propan-2-yl (2-chloro-4-{3-cyano-1-cyclobutyl-6-[(pyrimidin-2-yl)oxy]-1H-indol-2-yl}phenyl)carbamate

C27H24ClN5O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-75bae29af7f747498d33ab40d8234454
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

[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl:31][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37].[Cl:38][CH2:39][Cl:40].[ClH:54].[NH2:1][c:2]1[c:3]([Cl:30])[cH:4][c:5](-[c:8]2[n:9]([CH:26]3[CH2:27][CH2:28][CH2:29]3)[c:10]3[cH:11][c:12]([O:19][c:20]4[n:21][cH:22][cH:23][cH:24][n:25]4)[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[NH:1]([c:2]1[c:3]([Cl:30])[cH:4][c:5](-[c:8]2[n:9]([CH:26]3[CH2:27][CH2:28][CH2:29]3)[c:10]3[cH:11][c:12]([O:19][c:20]4[n:21][cH:22][cH:23][cH:24][n:25]4)[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1)[C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37]