HRID189817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7953

2,4,6-Trimethylpyridine

C8H11N

结构：COc1cc(C(=Nc2ccc(-c3noc(C)n3)cc2)C(=N)SC)cc2c1OCOC2

HCID59516968

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N=C(SC)C(=Nc1ccc(-c2noc(C)n2)cc1)c1cc2c(c(OC)c1)OCOC2

HCID72312724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dadc47686e794413a5921d67cf30884e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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