HRID1212105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7693

4-Chlorophenyl isocyanate

C7H4ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID13953711

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2-n2cnnc21

HCID13953715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4a6fb1269904f268c4f7a1e5ba5ace0
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

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