HRID92132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID11801

5-(Dimethylamino)-1-naphthalenesulfonyl chloride

C12H12ClNO2S

结构：CNCc1cccc(OCCCN(C)CCC(=O)OC(C)(C)C)c1

HCID59612671

未命名化合物

PRODUCTS

生成物

结构：CN(CCCOc1cccc(CN(C)c2cccc3c(N(C)C)cccc23)c1)CCC(=O)OC(C)(C)C

HCID67535702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efbdbf7e87ce4b8faabf635cd676fce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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