HRID297244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8022

Ethyl isocyanate

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)n(C)n1

HCID57505636

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1cn2nc(Oc3ccc(C)c(NC(=O)c4cc(C)nn4C)c3)ccc2n1

HCID57505647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-480859fb99a547908c45c777427439fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH2:30]([CH3:31])[N:32]=[C:33]=[O:34].[ClH:1].[NH2:2][c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([CH3:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1.[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:46].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[NH:2]([c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([CH3:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1)[C:33]([NH:32][CH2:30][CH3:31])=[O:34]