HRID1137784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID28486

Lithium ion

Li+

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID130500

未命名化合物

HCID21998728

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]cc(Cl)c3c2)CC1

HCID68622026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97b2b40e15f64b83a1d005dbbbaf221a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:27]([F:28])([F:29])([F:30])[F:31].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:18][CH:19]([CH3:20])[N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([Cl:14])[cH:9][nH:10][c:11]2[cH:12][cH:13]1.[CH3:59][OH:60].[Li+:16].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH-:15].[OH2:17].[OH2:61].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:3](=[O:4])([c:5]1[cH:6][c:7]2[c:8]([Cl:14])[cH:9][nH:10][c:11]2[cH:12][cH:13]1)[N:24]1[CH2:23][CH2:22][N:21]([CH:19]([CH3:18])[CH3:20])[CH2:26][CH2:25]1