HRID1232918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1O

HCID135674212

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1OCCN1CCOCC1

HCID9808488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d0c1bf50f549ee935769622d5f3833
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH2:61]([N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH3:77].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[NH:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([OH:21])[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1.[Cl:41][CH2:42][CH2:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[ClH:40].[I-:60].[K+:38].[K+:39].[Na+:50].[OH:51][C:52](=[O:53])[O-:54]>>[Cl:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[NH:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:42][CH2:43][N:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1