HRID814742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID59322362

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

C8H8ClN3O

结构：CN1CCCCC1Cn1cc(-c2ccc(F)c(C(F)F)c2)nc1C1CCNCC1

HCID59322410

未命名化合物

PRODUCTS

生成物

结构：CCC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ccc(F)c(C(F)F)c5)cn4CC4CCCCN4C)CC3)c21

HCID59322463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-635f4c87adb643efb269bfe54587257e
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

[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:30][c:31]1[c:32]2[c:33]([n:34][cH:35][n:36]1)[NH:37][C:38](=[O:42])[CH:39]2[CH2:40][CH3:41].[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:10]2[n:11][c:12]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[n:13]([CH2:15][CH:16]3[N:17]([CH3:22])[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14]2)[cH:6][cH:7][c:8]1[F:9])[F:29].[OH2:56]>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:10]2[n:11][c:12]([CH:23]3[CH2:24][CH2:25][N:26]([c:31]4[c:32]5[c:33]([n:34][cH:35][n:36]4)[NH:37][C:38](=[O:42])[CH:39]5[CH2:40][CH3:41])[CH2:27][CH2:28]3)[n:13]([CH2:15][CH:16]3[N:17]([CH3:22])[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14]2)[cH:6][cH:7][c:8]1[F:9])[F:29]