HRID311448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID98535

Ethanol, 2,2'-((2-aminoethyl)imino)bis-

C6H16N2O2

结构：COc1cc(-c2csc3c(C(=O)O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18450830

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2csc3c(C(=O)NCCN(CCO)CCO)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18450842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f88a6e141ab44b18e393d168c769312
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

[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32](=[O:33])[OH:34])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[NH2:55][CH2:56][CH2:57][N:58]([CH2:59][CH2:60][OH:61])[CH2:62][CH2:63][OH:64].[OH2:35].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32](=[O:33])[NH:55][CH2:56][CH2:57][N:58]([CH2:59][CH2:60][OH:61])[CH2:62][CH2:63][OH:64])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2