HRID126488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID21866218

未命名化合物

结构：O=C(O)C1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21

HCID178524421

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1-c1cnccn1)C1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21

HCID10184905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-892f8f119d834fe296adac21e282a1e1
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

[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH3:73][CH2:74][O:75][CH2:76][CH3:77].[ClH:1].[ClH:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:78].[OH:16][C:17]1([C:30](=[O:31])[N:32]2[CH:33]([C:34](=[O:35])[OH:36])[CH2:37][CH2:38][CH2:39]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2-[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]21.[OH:44][n:45]1[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[n:2]1[c:3](-[c:8]2[c:9]([CH2:14][NH2:15])[cH:10][cH:11][cH:12][cH:13]2)[cH:4][n:5][cH:6][cH:7]1>>[n:2]1[c:3](-[c:8]2[c:9]([CH2:14][NH:15][C:34]([CH:33]3[N:32]([C:30]([C:17]4([OH:16])[c:18]5[cH:19][cH:20][cH:21][cH:22][c:23]5-[c:24]5[cH:25][cH:26][cH:27][cH:28][c:29]54)=[O:31])[CH2:39][CH2:38][CH2:37]3)=[O:35])[cH:10][cH:11][cH:12][cH:13]2)[cH:4][n:5][cH:6][cH:7]1