HRID1236071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID70498

Phenyl thioxochloroformate

C7H5ClOS

结构：Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCn1cnc(CO)n1

HCID22103421

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCn1cnc(COC(=S)Oc2ccccc2)n1

HCID53873150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-081d02f5b6ef4e4883e073cc5eed0d60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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