Hydrochloric Acid → HCID 178509353, compound

HRID 2347061Notes

Reaction equation

HRID 2347061 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:50][C:51]#[N:52].[Cl:39][c:40]1[cH:41][c:42]([C:47](=[O:44])[O:48][OH:49])[cH:43][cH:45][cH:46]1.[ClH:38].[OH2:58].[OH:1][CH:2]1[CH:3]([n:8]2[cH:9][n:10][c:11]3[c:12]4[c:13]([c:14]([CH2:19][N:20]5[CH2:21][CH2:22][C:23]([C:26]#[N:27])([c:28]6[n:29][cH:30][cH:31][cH:32][cH:33]6)[CH2:24][CH2:25]5)[cH:15][c:16]3[c:17]2=[O:18])[cH:34][cH:35][cH:36][cH:37]4)[CH2:4][CH2:5][CH2:6][CH2:7]1>>[OH:1][CH:2]1[CH:3]([n:8]2[cH:9][n:10][c:11]3[c:12]4[c:13]([c:14]([CH2:19][N+:20]5([O-:44])[CH2:21][CH2:22][C:23]([C:26]#[N:27])([c:28]6[n:29][cH:30][cH:31][cH:32][cH:33]6)[CH2:24][CH2:25]5)[cH:15][c:16]3[c:17]2=[O:18])[cH:34][cH:35][cH:36][cH:37]4)[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 70297m-Chloroperbenzoic acidHCID 75993934HCID 75993934, compound

Product 1

HCID 178509353HCID 178509353, compound

Sources & evidence

ORD record
ord-30b238ded0724dd995485fa0f9b4da0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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