Acetic Acid → Hydrochloric Acid

HRID 664691Notes

Reaction equation

HRID 664691 reaction equation
[CH2:75]([O:76][CH2:77][CH3:78])[CH3:79].[CH3:68][C:69](=[O:70])[OH:71].[CH3:72][C:73]#[N:74].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]3[c:31]([cH:32]2)[N:22]([CH:23]([CH3:24])[CH2:25][N:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[c:17]2[c:16]([cH:21][cH:20][cH:19][cH:18]2)[S:15]3)=[S:33])[cH:5][cH:6][cH:7]1.[Cl:34][c:35]1[cH:36][c:37]([CH2:38][NH:39][C:40](=[O:41])[c:42]2[cH:43][c:44]3[c:53]([cH:54][cH:55]2)[S:52][c:51]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[N:45]3[CH:56]([CH2:57][N:58]2[CH2:59][CH2:60][CH2:61][CH2:62]2)[CH3:63])[cH:64][cH:65][cH:66]1.[ClH:67]>>[Cl:34][c:35]1[cH:36][c:37]([CH2:38][NH:39][C:40](=[O:41])[c:42]2[cH:43][c:44]3[c:53]([cH:54][cH:55]2)[S:52][c:51]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[N:45]3[CH:56]([CH2:57][N:58]2[CH2:59][CH2:60][CH2:61][CH2:62]2)[CH3:63])[cH:64][cH:65][cH:66]1.[ClH:1]

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6342AcetonitrileHCID 15925380N-(3-chlorobenzyl)-10-[1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamideHCID 53845975N-(3-chlorobenzyl)-10-[1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarbothioamide

Product 2

HCID 313Hydrochloric AcidHCID 15925380N-(3-chlorobenzyl)-10-[1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide

Sources & evidence

ORD record
ord-3e1c0caedbf1436f851878ab91d3cc8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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