HRID686428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID3016229

(2-(Azidomethyl)phenyl)acetic acid

C9H9N3O2

HCID178431850

未命名化合物

PRODUCTS

生成物

结构：CC1(C)SC2C(NC(=O)Cc3ccccc3CN=[N+]=[N-])C(=O)N2C1c1nnn[nH]1

HCID178431827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05777ce4af4245eda1713667fc2cf483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[ClH:33].[N:19](=[N+:20]=[N-:21])[CH2:22][c:23]1[c:24]([CH2:29][C:30](=[O:31])[OH:32])[cH:25][cH:26][cH:27][cH:28]1.[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[n:11][n:12][n:13][nH:14]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16].[Na+:18].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:17].[OH2:45]>>[NH:1]([CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[nH:11][n:12][n:13][n:14]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16])[C:30]([CH2:29][c:24]1[c:23]([CH2:22][N:19]=[N+:20]=[N-:21])[cH:28][cH:27][cH:26][cH:25]1)=[O:31]