HRID1572581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5948

Tributyltin

C12H28Sn

HCID6547

Azobisisobutyronitrile

C8H12N4

结构：CCOC(=O)C(Cl)(c1cnc(C(C)(C)C)nc1)C(C)(C)C

HCID14718731

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(c1cnc(C(C)(C)C)nc1)C(C)(C)C

HCID14718703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f5fb3015fe042729492a0ade8e28cba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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