HRID669856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499786

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(OC)ccc(C(N)=O)c2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24941cbc1d2f48f883d7133cfbcb4be3
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][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([O:31][CH3:32])[cH:25][cH:26][cH:27][c:28]2[O:29][CH3:30])[cH:21][cH:22]1)=[O:33].[CH3:41][C:42]#[N:43].[Cl:34][S:35](=[O:36])(=[O:37])[N:38]=[C:39]=[O:40]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([O:31][CH3:32])[cH:25][cH:26][c:27]([C:39]([NH2:38])=[O:40])[c:28]2[O:29][CH3:30])[cH:21][cH:22]1)=[O:33]