Hydrochloric Acid → HCID 70258380, compound

HRID 2138171Notes

Reaction equation

HRID 2138171 reaction equation
[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][NH:8][C:9](=[O:10])[CH2:11][N:12]([c:13]1[cH:14][c:15]2[c:16]([n:17]([CH3:30])[c:18]([CH2:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[NH:26])[NH2:27])[cH:28][cH:29]3)[n:19]2)[cH:31][cH:32]1)[S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][cH:39][c:40]2[cH:41][cH:42][cH:43][n:44][c:45]12.[Cl:46][C:47](=[O:48])[O:49][CH:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[ClH:1].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:56]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][NH:8][C:9](=[O:10])[CH2:11][N:12]([c:13]1[cH:14][c:15]2[c:16]([n:17]([CH3:30])[c:18]([CH2:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[N:26][C:47](=[O:48])[O:49][CH:50]4[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]4)[NH2:27])[cH:28][cH:29]3)[n:19]2)[cH:31][cH:32]1)[S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][cH:39][c:40]2[cH:41][cH:42][cH:43][n:44][c:45]12

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 83262Carbonochloridic acid, cyclohexyl esterHCID 53671221HCID 53671221, compound

Product 1

HCID 70258380HCID 70258380, compound

Sources & evidence

ORD record
ord-6bd3379115644139bb7dce4e6424399f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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