HRID285735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cccc(-c2nn3c(c2-c2ccnc4cc(C(=O)O)ccc24)CCC3)n1

HCID10133737

未命名化合物

HCID17909918

tert-Butyl (2-amino-2-methylpropyl)carbamate

C9H20N2O2

PRODUCTS

生成物

结构：Cc1cccc(-c2nn3c(c2-c2ccnc4cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)ccc24)CCC3)n1

HCID69365708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c346d40ee1104bf1b7e090dcd479e9c1
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:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([NH:35][CH2:36][C:37]([CH3:38])([CH3:39])[NH2:40])=[O:41].[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][n:19][c:20]4[cH:21][c:22]([C:26](=[O:27])[OH:28])[cH:23][cH:24][c:25]34)[c:10]3[n:11]([n:12]2)[CH2:13][CH2:14][CH2:15]3)[n:7]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:65][CH2:66][Cl:67].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][n:19][c:20]4[cH:21][c:22]([C:26](=[O:27])[NH:40][C:37]([CH2:36][NH:35][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:41])([CH3:38])[CH3:39])[cH:23][cH:24][c:25]34)[c:10]3[n:11]([n:12]2)[CH2:13][CH2:14][CH2:15]3)[n:7]1