HRID209324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28486

Lithium ion

Li+

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=NC#N)Oc2ccccc2)CC1

HCID58728442

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)NC#N)CC1

HCID58727860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87e40e82c0b8414681be1e92da7911e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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