HRID1555768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID22484542

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C7H3ClN4

反应SMILES：Cc1cccc2cc(C(C)N)n(-c3ccccc3)c(=O)c12

HCID69033205

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc2cc(C(C)Nc3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12

HCID69032993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d3f613367a6c4a348d28b9b85bd3fc4b
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

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