HRID2150343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID422478

2,3-Dihydro-1H-isoindole

C8H9N

结构：O=C(O)c1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21

HCID59594282

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21)N1Cc2ccccc2C1

HCID17757605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47be94e291c840c1921daf8cb208850a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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