HRID294999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID24386

Thionyl chloride

Cl2OS

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID324007

未命名化合物

结构：CSc1ncc2c(n1)N1CCCC1CN(c1cccc(C(=O)O)c1)C2=O

HCID67350554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1N=C(c2cccc(N3CC4CCCN4c4nc(SC)ncc4C3=O)c2)OC1C

HCID178499067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b21d02ba37e94191b3c0f1acbf031e05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:71](=[O:72])([OH:73])[O-:74].[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:20]([OH:21])=[O:22])[cH:23][cH:24][cH:25]1)[C:15]2=[O:16].[CH3:28][O:29][C:30]([CH:31]([NH2:32])[CH:33]([OH:34])[CH3:35])=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:79]([Cl:80])([Cl:81])[Cl:82].[Cl:76][CH2:77][Cl:78].[ClH:27].[ClH:44].[Na+:75].[OH2:56].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1.[S:67]([Cl:68])([Cl:69])=[O:70]>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:37]3=[N:32][CH:31]([C:30]([O:29][CH3:28])=[O:36])[CH:33]([CH3:35])[O:34]3)[cH:23][cH:24][cH:25]1)[C:15]2=[O:16]