HRID960825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

结构：Cn1cncc1C(Cl)(c1ccc(C#N)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID21082056

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1C(N)(c1ccc(C#N)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID21082055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8bf1c0d359949e091a98fddd417413b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH:2]([OH:3])([CH3:4])[CH3:5].[Cl:6][C:7]([c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)([c:16]1[cH:17][n:18][cH:19][n:20]1[CH3:21])[c:22]1[cH:23][c:24]2[c:25](-[c:34]3[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]3)[cH:26][c:27](=[O:33])[n:28]([CH3:32])[c:29]2[cH:30][cH:31]1.[NH3:1].[OH2:41]>>[C:7]([c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)([c:16]1[cH:17][n:18][cH:19][n:20]1[CH3:21])([c:22]1[cH:23][c:24]2[c:25](-[c:34]3[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]3)[cH:26][c:27](=[O:33])[n:28]([CH3:32])[c:29]2[cH:30][cH:31]1)[NH2:44]