HRID1537417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1

HCID68431359

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)N2CCc3ccccc3C2)CN(C(=O)OC(C)(C)C)C1

HCID178495271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e48573423aa45eda5319c8ab1a777d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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