HRID1126787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID16450143

2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid

C14H17NO4

HCID59174836

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc(C4(c5ccccc5)CC4)[nH]c3=S)cc2C1

HCID86638729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29a14252a8694e8dbeb11b48b0b15600
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][c:27]2[cH:28][cH:29][c:30]([C:34](=[O:35])[OH:36])[cH:31][c:32]2[CH2:33]1.[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:60][OH:61].[ClH:48].[NH2:1][c:2]1[c:3](=[S:17])[nH:4][c:5]([C:8]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:37].[n:38]1([OH:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[NH:1]([c:2]1[c:3](=[S:17])[nH:4][c:5]([C:8]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1)[C:34]([c:30]1[cH:29][cH:28][c:27]2[c:32]([cH:31]1)[CH2:33][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:26]2)=[O:35]