HRID2319964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID95489

1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

C10H11NO2

结构：CC(C)(C)c1ccnc(CN(Cc2ccc(CN)cc2CO)C2CCCc3cccnc32)c1

HCID67271580

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccnc(CN(Cc2ccc(CNC(=O)C3Cc4ccccc4CN3)cc2CO)C2CCCc3cccnc32)c1

HCID67271811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4666b074f08449e90522abc25405bec
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

[CH2:35]1[NH:36][CH:37]([C:45](=[O:46])[OH:47])[CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]21.[CH3:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68].[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:78][CH2:79][Cl:80].[ClH:34].[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][cH:27][c:28]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:29]2)[c:7]([CH2:9][OH:10])[cH:8]1.[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]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][cH:27][c:28]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:29]2)[c:7]([CH2:9][OH:10])[cH:8]1)[C:45]([CH:37]1[NH:36][CH2:35][c:44]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[CH2:38]1)=[O:46]