Chloride → Chloride

HRID 1233772

Reaction equation

HRID 1233772 reaction equation
[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[n+:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH:24]12[S:25][CH2:26][C:27]([CH2:28][S:29][c:30]3[n:31][c:32](=[O:33])[c:34](=[O:35])[nH:36][n:37]3[CH3:38])=[C:39]([C:57]([OH:58])=[O:59])[N:40]1[C:41](=[O:42])[CH:43]2[NH:44][C:45](=[O:46])[C:47](=[N:48][O:49][CH3:50])[c:51]1[cH:52][s:53][c:54]([NH2:55])[n:56]1.[Cl-:1].[OH2:60]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[n+:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH:24]12[S:25][CH2:26][C:27]([CH2:28][S:29][c:30]3[n:31][c:32](=[O:33])[c:34](=[O:35])[nH:36][n:37]3[CH3:38])=[C:39]([C:57](=[O:58])[OH:59])[N:40]1[C:41](=[O:42])[CH:43]2[NH:44][C:45](=[O:46])[C:47](=[N:48][O:49][CH3:50])[c:51]1[cH:52][s:53][c:54]([NH2:55])[n:56]1.[Cl-:1]

Participants

7

Reactant 4

HCID 312ChlorideHCID 962WaterHCID 26577-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidHCID 2683Cetylpyridinium

Product 3

HCID 312ChlorideHCID 26577-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidHCID 2683Cetylpyridinium

Sources & evidence

ORD record
ord-b0a3fbd484224c8581b623da2b0235f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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