HRID664956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8022

Ethyl isocyanate

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CN)cc3)CC2)cnn1C

HCID59322009

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)NCc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1

HCID59321951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d66d1f8b50c4121bf07483182005c17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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