HRID1224759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cnc(CN(Cc2ccc(CN)cc2CO)C2CCCc3cccnc32)c(C)c1

HCID67271935

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)NCc1ccc(CN(Cc2ncc(C)cc2C)C2CCCc3cccnc32)c(CO)c1)c1ccccc1

HCID67272230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b24a6ce0b76f47598a46bb3961b3b6f9
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

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