HRID2350331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6329

Methylamine

CH5N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CCCNC(=O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID22506657

未命名化合物

结构：O=C(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID22506702

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID22506786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c676ee1d1034aefbec14662d33c2d53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:100][CH2:101][N:102]([CH2:103][CH3:104])[CH2:105][CH3:106].[CH3:35][NH2:36].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH3:19])[c:20]3[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]3)[CH2:12]2)[c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[cH:6][cH:7]1.[Cl:61][c:62]1[cH:63][cH:64][c:65]([CH:66]([c:67]2[cH:68][cH:69][c:70]([Cl:71])[cH:72][cH:73]2)[N:74]2[CH2:75][CH:76]([CH:77]([c:78]3[cH:79][c:80]([F:81])[cH:82][c:83]([F:84])[cH:85]3)[C:86]([OH:87])=[O:88])[CH2:89]2)[cH:90][cH:91]1.[Cl:97][CH2:98][Cl:99].[ClH:37].[ClH:60].[O:92]1[CH2:93][CH2:94][CH2:95][CH2:96]1.[OH2:49].[OH:50][c:51]1[c:52]2[n:53][n:54][nH:55][c:56]2[cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14](=[O:15])[NH:16][CH3:17])[c:20]3[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]3)[CH2:12]2)[c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[cH:6][cH:7]1