Hydrochloric Acid → HCID 67040379, compound

HRID 1135502Notes

Reaction equation

HRID 1135502 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:60].[Li+:59].[OH-:58].[OH2:57].[OH2:67].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:56]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]2[c:26]([NH:42][c:43]3[c:44]4[c:45]([n:46][cH:47][n:48]3)[n:49][c:50]([CH:53]([CH3:54])[CH3:55])[cH:51][cH:52]4)[cH:27][c:28]([C:31]([NH:32][c:33]3[cH:34][n:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)=[O:41])[cH:29][cH:30]2)[cH:22][cH:23]1>>[NH2:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]2[c:26]([NH:42][c:43]3[c:44]4[c:45]([n:46][cH:47][n:48]3)[n:49][c:50]([CH:53]([CH3:54])[CH3:55])[cH:51][cH:52]4)[cH:27][c:28]([C:31]([NH:32][c:33]3[cH:34][n:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)=[O:41])[cH:29][cH:30]2)[cH:22][cH:23]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 67040487HCID 67040487, compound

Product 1

HCID 67040379HCID 67040379, compound

Sources & evidence

ORD record
ord-a83d6b0bb0bb47a0a73c7d248aaad158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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