Hydrochloric Acid → Hydrochloric Acid

Reaction equation

[CH3:20][N:21]([CH2:22][C:23](=[O:24])[Cl:25])[CH3:26].[Cl:27][CH2:28][Cl:29].[ClH:19].[NH2:1][c:2]1[c:3]([NH:11][C:12](=[S:13])[NH:14][C:15](=[O:16])[O:17][CH3:18])[cH:4][cH:5][c:6]([S:8][C:9]#[N:10])[cH:7]1>>[ClH:25].[NH:1]([c:2]1[c:3]([NH:11][C:12](=[S:13])[NH:14][C:15](=[O:16])[O:17][CH3:18])[cH:4][cH:5][c:6]([S:8][C:9]#[N:10])[cH:7]1)[C:23]([CH2:22][N:21]([CH3:20])[CH3:26])=[O:24]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 70103442-(Dimethylamino)acetyl chloride

HCID 214266632-Amino-1-(3-methoxycarbonyl-2-thioureido)-4-thiocyanatobenzene

Product 2

HCID 313Hydrochloric Acid

HCID 21426607methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-thiocyanatophenyl]carbamothioyl]carbamate

Sources & evidence

ORD record: ord-b57092eb75ab4eeeac5f5923a6369e35
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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