Hydrochloric Acid → HCID 178508501, compound

HRID 1146684Notes

Reaction equation

HRID 1146684 reaction equation
[CH3:67][C:68]([N:69]([CH3:70])[CH3:71])=[O:72].[ClH:40].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[n:26][cH:27][n:28][cH:29][c:30]4-[c:31]4[cH:32][c:33]([OH:38])[c:34]([OH:37])[cH:35][cH:36]4)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:39])[n:6]1.[NH2:41][O:42][CH2:43][c:44]1[c:45]([Cl:66])[c:46]2[c:47]([c:63]([Cl:65])[cH:64]1)[O:48][C:49]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)([c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[O:50]2>>[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[n:26][cH:27][n:28][cH:29][c:30]4-[c:31]4[cH:32][c:33]([OH:38])[c:34]([OH:37])[cH:35][cH:36]4)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:41][O:42][CH2:43][c:44]2[c:45]([Cl:66])[c:46]3[c:47]([c:63]([Cl:65])[cH:64]2)[O:48][C:49]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[O:50]3)[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 19917962HCID 19917962, compoundHCID 178508537HCID 178508537, compound

Product 1

HCID 178508501HCID 178508501, compound

Sources & evidence

ORD record
ord-b98e41208bc64021aa8ef2083f371472
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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