HRID2127688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：[CH3][Sn]([CH3])([CH3])[c]1cc(C(=O)O)c2c(c1)oc1ccccc12

HCID19737925

未命名化合物

PRODUCTS

生成物

结构：[CH3][Sn]([CH3])([CH3])[c]1cc(C(N)=O)c2c(c1)oc1ccccc12

HCID19887833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21cb207f326c4db49d3daf8924c61b99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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