HRID1566691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID138754

Tri(propan-2-yl)silane

C9H22Si

结构：CC(C)(C)OC(=O)NCCCCn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1

HCID86760728

未命名化合物

PRODUCTS

生成物

结构：NCCCCn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1

HCID10021695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34efa0611a6740fa8c732783e5ea977a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:41]([SiH:42]([CH:43]([CH3:44])[CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[s:8][c:9](-[c:11]1[c:12](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:13][cH:14][n:15]1[CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:10]2.[OH2:51]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[s:8][c:9](-[c:11]1[c:12](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:13][cH:14][n:15]1[CH2:16][CH2:17][CH2:18][CH2:19][NH2:20])[cH:10]2