Chloride → HCID 9800087, compound

HRID 2131036Notes

Reaction equation

HRID 2131036 reaction equation
[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][Cl:7])[CH3:8].[CH3:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Cl-:38].[ClH:1].[Na+:37].[OH-:36].[OH2:53].[c:16]1([CH2:34][OH:35])[s:17][cH:18][c:19]2[c:25]1-[c:24]1[c:23]([cH:29][cH:28][cH:27][cH:26]1)[S:22][c:21]1[c:20]-2[cH:33][cH:32][cH:31][cH:30]1>>[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][O:35][CH2:34][c:16]1[s:17][cH:18][c:19]2[c:25]1-[c:24]1[c:23]([cH:29][cH:28][cH:27][cH:26]1)[S:22][c:21]1[c:20]-2[cH:33][cH:32][cH:31][cH:30]1)[CH3:8]

Participants

10

Sources & evidence

ORD record
ord-90f468b1422440c6805609d6310adc19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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