HRID162161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：CNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID56643603

未命名化合物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1cccc(C(=O)O)c1

HCID57980003

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1cccc(C(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1

HCID66637495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3709ef5ea4f4d0dbd37c6276d8458d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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