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Hydrochloric Acid → 2-Benzo[1,3]dioxol-5-ylmethyl-4-(benzo[1,3]dioxol-5-ylsulfanyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylic acid

HRID 215233
Notes
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Reaction equation

HRID 215233 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:10]([S:11][c:12]2[cH:13][c:14]3[c:15]([cH:19][cH:20]2)[O:16][CH2:17][O:18]3)[c:9]2[c:8]([cH:24][cH:23][cH:22][cH:21]2)[S:7](=[O:25])(=[O:26])[N:6]1[CH2:27][c:28]1[cH:29][c:30]2[c:31]([cH:35][cH:36]1)[O:32][CH2:33][O:34]2.[CH3:37][OH:38].[ClH:45].[OH2:44]>>[O:2]=[C:3]([OH:4])[C:5]1=[C:10]([S:11][c:12]2[cH:13][c:14]3[c:15]([cH:19][cH:20]2)[O:16][CH2:17][O:18]3)[c:9]2[c:8]([cH:24][cH:23][cH:22][cH:21]2)[S:7](=[O:25])(=[O:26])[N:6]1[CH2:27][c:28]1[cH:29][c:30]2[c:31]([cH:35][cH:36]1)[O:32][CH2:33][O:34]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 543966672-Benzo[1,3]dioxol-5-ylmethyl-4-(benzo[1,3]dioxol-5-ylsulfanyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylic acid methyl ester

Product 1

HCID 44213545
2-Benzo[1,3]dioxol-5-ylmethyl-4-(benzo[1,3]dioxol-5-ylsulfanyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylic acid

Sources & evidence

ORD record
ord-e4cb094d30bb499ca932bdfb398f53fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes