Hydrochloric Acid → HCID 67916362, compound

HRID 665469Notes

Reaction equation

HRID 665469 reaction equation
[C:7](=[O:8])([OH:9])[c:10]1[cH:11][cH:12][c:13]([CH2:14][c:15]2[c:16]([S:29][c:30]3[c:31]([CH2:44][c:45]4[cH:46][cH:47][c:48]([C:51](=[O:52])[OH:53])[cH:49][cH:50]4)[c:32]4[c:37]([cH:38][cH:39]3)[C:36]([CH3:40])([CH3:41])[CH2:35][CH2:34][C:33]4([CH3:42])[CH3:43])[cH:17][cH:18][c:19]3[c:24]2[C:23]([CH3:25])([CH3:26])[CH2:22][CH2:21][C:20]3([CH3:27])[CH3:28])[cH:54][cH:55]1.[CH3:58][CH2:59][OH:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:56].[I+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Na+:6].[OH2:57]>>[O:2]=[S:29]([c:16]1[c:15]([CH2:14][c:13]2[cH:12][cH:11][c:10]([C:7](=[O:8])[OH:9])[cH:55][cH:54]2)[c:24]2[c:19]([cH:18][cH:17]1)[C:20]([CH3:27])([CH3:28])[CH2:21][CH2:22][C:23]2([CH3:25])[CH3:26])[c:30]1[c:31]([CH2:44][c:45]2[cH:46][cH:47][c:48]([C:51](=[O:52])[OH:53])[cH:49][cH:50]2)[c:32]2[c:37]([cH:38][cH:39]1)[C:36]([CH3:40])([CH3:41])[CH2:35][CH2:34][C:33]2([CH3:42])[CH3:43]

Participants

8

Sources & evidence

ORD record
ord-9c60eb4eb7734fe68283fb149eb50337
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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