HRID152303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

HCID67314926

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

HCID67315604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff20d5730334da096fc0bca4742c5af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:25]2[cH:26][cH:27][n:28][cH:29][cH:30]2)[n:8][n:9](-[c:14]2[cH:15][c:16]([O:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19]2)[c:10]1[CH:11]1[CH2:12][CH2:13]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][OH:40].[Cl:42][CH2:43][Cl:44].[Li+:33].[OH-:32].[OH2:31].[OH2:41]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7](-[c:25]2[cH:26][cH:27][n:28][cH:29][cH:30]2)[n:8][n:9](-[c:14]2[cH:15][c:16]([O:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19]2)[c:10]1[CH:11]1[CH2:12][CH2:13]1