HRID90861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8027

Pyrrole

C4H5N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CCOC(=O)n1cc(C2C3OC(C)(C)OC3C(CSC)N2C(=O)OC(C)(C)C)c(N)c1C#N

HCID69898274

未命名化合物

PRODUCTS

生成物

结构：CSCC1C2OC(C)(C)OC2C(c2c[nH]c(C#N)c2N)N1C(=O)OC(C)(C)C

HCID21044361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-684d05fb111e4f2e94f82a2498224431
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:42][S:43][CH3:44])[CH:21]2[CH:22]([CH:23]1[c:24]1[cH:25][n:26]([C:32]([O:33][CH2:34][CH3:35])=[O:36])[c:27]([C:30]#[N:31])[c:28]1[NH2:29])[O:37][C:38]([CH3:40])([CH3:41])[O:39]2.[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[N:45]12[CH2:46][CH2:47][CH2:48][N:49]=[C:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2.[nH:7]1[cH:8][cH:9][cH:10][cH:11]1>>[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:42][S:43][CH3:44])[CH:21]2[CH:22]([CH:23]1[c:24]1[cH:25][nH:26][c:27]([C:30]#[N:31])[c:28]1[NH2:29])[O:37][C:38]([CH3:40])([CH3:41])[O:39]2