HRID199994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID4574913

未命名化合物

HCID12095870

4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

C6H4ClN3O

结构：CN1CCCC(n2cc(-c3ccc(F)c(C(F)(F)F)c3)nc2C2CCNCC2)C1

HCID67264990

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN1CCCC(n2cc(-c3ccc(F)c(C(F)(F)F)c3)nc2C2CCN(c3ncnc4c3CC(=O)N4)CC2)C1

HCID59322393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1eaca0fafc142c1b069858700559fa0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[Cl:7][c:8]1[c:9]2[c:10]([n:11][cH:12][n:13]1)[NH:14][C:15](=[O:17])[CH2:16]2.[F:18][c:19]1[c:20]([C:43]([F:44])([F:45])[F:46])[cH:21][c:22](-[c:25]2[n:26][c:27]([CH:37]3[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]3)[n:28]([CH:30]3[CH2:31][N:32]([CH3:36])[CH2:33][CH2:34][CH2:35]3)[cH:29]2)[cH:23][cH:24]1.[K+:6].[OH2:47]>>[ClH:7].[c:8]1([N:40]2[CH2:39][CH2:38][CH:37]([c:27]3[n:26][c:25](-[c:22]4[cH:21][c:20]([C:43]([F:44])([F:45])[F:46])[c:19]([F:18])[cH:24][cH:23]4)[cH:29][n:28]3[CH:30]3[CH2:31][N:32]([CH3:36])[CH2:33][CH2:34][CH2:35]3)[CH2:42][CH2:41]2)[c:9]2[c:10]([n:11][cH:12][n:13]1)[NH:14][C:15](=[O:17])[CH2:16]2