Hydrochloric Acid → HCID 178502940, compound

HRID 1114193Notes

Reaction equation

HRID 1114193 reaction equation
[CH2:12]([N:13]=[C:14]=[N:15][CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH3:22].[CH3:23][CH:24]1[C:25](=[O:41])[c:26]2[c:27]([cH:34][c:35]3[c:36]([cH:37]2)[O:38][CH2:39][O:40]3)[CH2:28][CH:29]([C:31](=[O:32])[OH:33])[S:30]1.[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:11].[NH2:42][c:43]1[cH:44][cH:45][c:46]([CH2:47][P:48]([O:49][CH3:50])([O:51][CH3:52])=[O:53])[cH:54][cH:55]1.[OH2:61].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[CH3:23][CH:24]1[C:25](=[O:41])[c:26]2[c:27]([cH:34][c:35]3[c:36]([cH:37]2)[O:38][CH2:39][O:40]3)[CH2:28][CH:29]([C:31](=[O:33])[NH:42][c:43]2[cH:44][cH:45][c:46]([CH2:47][P:48]([O:49][CH3:50])([O:51][CH3:52])=[O:53])[cH:54][cH:55]2)[S:30]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 12843961Dimethyl [(4-aminophenyl)methyl]phosphonateHCID 159224451,2,4,5-Tetrahydro-4-methyl-7,8-methylenedioxy-5-oxo-3-benzothiepin-2-carboxylic acid

Product 1

HCID 178502940HCID 178502940, compound

Sources & evidence

ORD record
ord-5cd3e01548144186884014594a8996d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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